#METABOLOMICS WORKBENCH nishastephan_20161114_000119 DATATRACK_ID:776 STUDY_ID:ST000508 ANALYSIS_ID:AN000779 PROJECT_ID:PR000381 VERSION 1 CREATED_ON December 2, 2016, 11:11 am #PROJECT PR:PROJECT_TITLE Metabolic Profiling of Date Palm Fruits PR:PROJECT_SUMMARY The goal of this study was to investigate metabotypes of date palm fruits PR:PROJECT_SUMMARY through global, non-targeted metabolomics of assorted date fruits varieties from PR:PROJECT_SUMMARY different countries of origin. PR:INSTITUTE Weill Cornell Medicine Qatar PR:DEPARTMENT Bioinformatics Core PR:LABORATORY Suhre Lab PR:LAST_NAME Suhre PR:FIRST_NAME Karsten PR:ADDRESS Luqta Street, Education City, Doha, Qatar, 24144, Qatar PR:EMAIL nishastephan@gmail.com PR:PHONE +97444928281 PR:FUNDING_SOURCE Funding for this research was provided by Qatar National Research Fund, a member PR:FUNDING_SOURCE of Qatar Foundation under the National Priorities Research Program – PR:FUNDING_SOURCE Exceptional Award (NPRP-EP) NPRPX-014-4-001. #STUDY ST:STUDY_TITLE Metabolic Profiling of Date Palm Fruits ST:STUDY_SUMMARY In this study, two independent large cohorts of mature dates exhibiting ST:STUDY_SUMMARY substantial diversity in origin, varieties and fruit processing conditions were ST:STUDY_SUMMARY measured by metabolomics techniques in order to identify major determinants of ST:STUDY_SUMMARY the fruit metabotype. Additional samples reflecting different stages of date ST:STUDY_SUMMARY fruit ripening process has been included for 10 different fruit varieties. ST:INSTITUTE Weill Cornell Medicine in Qatar ST:DEPARTMENT Bioinformatics Core ST:LABORATORY Suhre Lab ST:LAST_NAME Suhre ST:FIRST_NAME Karsten ST:ADDRESS Education City ST:EMAIL nis2034@qatar-med.cornell.edu ST:PHONE +97433888408 #SUBJECT SU:SUBJECT_TYPE Date palm fruit SU:SUBJECT_SPECIES Phoenix dactylifera SU:TAXONOMY_ID 42345 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS 1 1.2 date_variety:Aseela country_of_origin=Dubai, UAE; brand_name=Dr Ahmad Saif Al-Fasi farm; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 1 1.3 date_variety:Aseela country_of_origin=Dubai, UAE; brand_name=Dr Ahmad Saif Al-Fasi farm; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 2 2.2 date_variety:Piarom, Grade 1 country_of_origin=Iran; brand_name=Zargarzadeh.com; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 4 4.1 date_variety:Rabee country_of_origin=Iran; brand_name=Zargarzadeh.com; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 4 4.2 date_variety:Rabee country_of_origin=Iran; brand_name=Zargarzadeh.com; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 5 5.2 date_variety:Khasoy country_of_origin=Iran; brand_name=Zargarzadeh.com; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 5 5.3 date_variety:Khasoy country_of_origin=Iran; brand_name=Zargarzadeh.com; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 6 6.2 date_variety:Ayash country_of_origin=UAE; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 7 7.2 date_variety:Mumtaza country_of_origin=UAE; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 7 7.3 date_variety:Mumtaza country_of_origin=UAE; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 8 8.1 date_variety:Nawader country_of_origin=UAE; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 8 8.3 date_variety:Nawader country_of_origin=UAE; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 9 9.1 date_variety:Zamlee country_of_origin=KSA; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 9 9.3 date_variety:Zamlee country_of_origin=KSA; brand_name=Date Palm Friends Society; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 10 10.2 date_variety:Sheshe country_of_origin=UAE; brand_name=Azaad Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 10 10 date_variety:Sheshe country_of_origin=UAE; brand_name=Azaad Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 11 11.1 date_variety:Menefi country_of_origin=UAE; brand_name=Azaad Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 11 11.3 date_variety:Menefi country_of_origin=UAE; brand_name=Azaad Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 11 11 date_variety:Menefi country_of_origin=UAE; brand_name=Azaad Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 12 12.1 date_variety:Berni country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 12 12.3 date_variety:Berni country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 13 13.2 date_variety:Ambara country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 14 14.1 date_variety:Sultana country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 14 14.2 date_variety:Sultana country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 15 15.3 date_variety:Jabri country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 16 16.1 date_variety:BuMaan country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 16 16.2 date_variety:BuMaan country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 17 17.3 date_variety:Safawin country_of_origin=UAE; brand_name=Al Danayeh; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 18 18.2 date_variety:Saeedi country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 18 18.3 date_variety:Saeedi country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 19 19.3 date_variety:Gagee country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 20 20.2 date_variety:Ghazelee country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 20 20.3 date_variety:Ghazelee country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 21 21.3 date_variety:Malakabi country_of_origin=Egypt; brand_name=Orient; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 22 22.2 date_variety:Ibrahim ( Iraqi Ajwa) country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 22 22 date_variety:Ibrahim ( Iraqi Ajwa) country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 23 23.1 date_variety:Um Alamod country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 23 23.3 date_variety:Um Alamod country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 24 24.2 date_variety:Khiyara country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 24 24.3 date_variety:Khiyara country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 24 24 date_variety:Khiyara country_of_origin=Iraq; brand_name=Al Basra Dates; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 25 25.2 date_variety:Barani country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 26 26.1 date_variety:Sangol country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 26 26.2 date_variety:Sangol country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 27 27.2 date_variety:Aseel country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 27 27.3 date_variety:Aseel country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 27 27 date_variety:Aseel country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 28 28.3 date_variety:Gorakh country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 29 29.1 date_variety:Zayaki country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 29 29.3 date_variety:Zayaki country_of_origin=Pakistan; brand_name=Sindh Board of Investment (SBI); collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 30 30.3 date_variety:Burmeel country_of_origin=Libya; brand_name=Al-Nakhlatain; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 30 30 date_variety:Burmeel country_of_origin=Libya; brand_name=Al-Nakhlatain; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 31 31.2 date_variety:Berni country_of_origin=Libya; brand_name=Al-Nakhlatain; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 31 31.3 date_variety:Berni country_of_origin=Libya; brand_name=Al-Nakhlatain; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 32 32.1 date_variety:Abel country_of_origin=Libya; brand_name=Al-Nakhlatain; collection_info=Abu Dhabi Date Palm Festival 2012 SUBJECT_SAMPLE_FACTORS 34 34.1 date_variety:Sagai dry country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 34 34.3 date_variety:Sagai dry country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 35 35.2 date_variety:Khudry country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 36 36.3 date_variety:Ajwa medina country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 37 37.2 date_variety:Safawi - medina country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 37 37.3 date_variety:Safawi - medina country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 38 38.1 date_variety:Sagai - Rotab country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 38 38.3 date_variety:Sagai - Rotab country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 39 39.1 date_variety:Rushydia country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 40 40.1 date_variety:Naboot Sultan country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 40 40.3 date_variety:Naboot Sultan country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 41 41.1 date_variety:Sufri country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 41 41.3 date_variety:Sufri country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 42 42.1 date_variety:Shieshi Rotab country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 42 42.3 date_variety:Shieshi Rotab country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 43 43.3 date_variety:khlas country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 44 44.1 date_variety:Mabroom country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 44 44.2 date_variety:Mabroom country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 44 44 date_variety:Mabroom country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 45 45.1 date_variety:Medjoul country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 46 46.1 date_variety:Naboot Ali country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 46 46.2 date_variety:Naboot Ali country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 47 47.1 date_variety:Amber - medina country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 47 47.2 date_variety:Amber - medina country_of_origin=KSA; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 48 48.1 date_variety:Mabroom country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 49 49.2 date_variety:Sukary country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 49 49.3 date_variety:Sukary country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 50 50.1 date_variety:Khudry country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 50 50 date_variety:Khudry country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 51 51.2 date_variety:Dried dates country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 51 51.3 date_variety:Dried dates country_of_origin=Qatar; brand_name=Al Qaseem Dates; collection_info=Al Qaseem Dates store SUBJECT_SAMPLE_FACTORS 52 52.1 date_variety:Sufri country_of_origin=Qatar; brand_name=National Food Company; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 52 52.3 date_variety:Sufri country_of_origin=Qatar; brand_name=National Food Company; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 53 53.2 date_variety:Safawi country_of_origin=KSA; brand_name=Carrefour; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 54 54.1 date_variety:Mabroom country_of_origin=KSA; brand_name=Carrefour; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 54 54.2 date_variety:Mabroom country_of_origin=KSA; brand_name=Carrefour; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 55 55.3 date_variety:Kheneizi country_of_origin=KSA; brand_name=Date Crown; collection_info=Carrefour SUBJECT_SAMPLE_FACTORS 56 56.1 date_variety:Suqai country_of_origin=Qatar; brand_name=National Food Company; collection_info=Lulu SUBJECT_SAMPLE_FACTORS 57 57.2 date_variety:Safawi country_of_origin=KSA; brand_name=Al Alwani Dates; collection_info=Lulu SUBJECT_SAMPLE_FACTORS 57 57.3 date_variety:Safawi country_of_origin=KSA; brand_name=Al Alwani Dates; collection_info=Lulu SUBJECT_SAMPLE_FACTORS 58 58.3 date_variety:Sagai country_of_origin=UAE; brand_name=Liwa Dates; collection_info=Lulu SUBJECT_SAMPLE_FACTORS 60 60.2 date_variety:Allig country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 60 60 date_variety:Allig country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 61 61.1 date_variety:Hamrata country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 61 61.3 date_variety:Hamrata country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 61 61 date_variety:Hamrata country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 62 62.2 date_variety:Grenja country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 64 64.2 date_variety:Deglet Nour country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 64 64.3 date_variety:Deglet Nour country_of_origin=Tunisia; brand_name=Personal collection; collection_info=Eman Mabrook - BCQ SUBJECT_SAMPLE_FACTORS 69 69.3 date_variety:Medjoul country_of_origin=California, USA; brand_name=Spinneys; collection_info=Spinneys SUBJECT_SAMPLE_FACTORS 70 70.2 date_variety:Sukkary country_of_origin=KSA; brand_name=Personal collection; collection_info=Personal collection -Mashael Al Shafai SUBJECT_SAMPLE_FACTORS 71 71 date_variety:Fegous-ghlid country_of_origin=Morocco; brand_name=Marrakech Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 72 72 date_variety:Majhool AA country_of_origin=Morocco; brand_name=Marrakech Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 73 73 date_variety:Jihl country_of_origin=Morocco; brand_name=Marrakech Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 74 74 date_variety:Tadment country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 75 75 date_variety:Sayer country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 77 77 date_variety:Hafs country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 78 78 date_variety:Bouzagza country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 79 79 date_variety:Boukhanda country_of_origin=Morocco; brand_name=Fess Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 80 80 date_variety:Agalid country_of_origin=Morocco; brand_name=Fess Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 81 81 date_variety:Lakhal country_of_origin=Morocco; brand_name=Fess Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 82 82 date_variety:Najda country_of_origin=Morocco; 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brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 87 87C date_variety:Tazgaghzt country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 88 88 date_variety:Tamaright 2 country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89E date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89 date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89C date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89D date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89A date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 89 89B date_variety:khalt-lhammar country_of_origin=Morocco; brand_name=Ourzazet Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 90 90 date_variety:Mejhool country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 90 90A date_variety:Mejhool country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 90 90B date_variety:Mejhool country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 90 90C date_variety:Mejhool country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 91 91F date_variety:Belahzit country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 91 91 date_variety:Belahzit country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 91 91A date_variety:Belahzit country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 91 91H date_variety:Belahzit country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92E date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92 date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92A date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92B1 date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92C date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 92 92D date_variety:Shetwia country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 93 93C date_variety:Booserdoon country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 93 93 date_variety:Booserdoon country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 93 93D date_variety:Booserdoon country_of_origin=Morocco; brand_name=Awfous Souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 96 96 date_variety:Bekri-khder country_of_origin=Morocco; brand_name=Ourzazet souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 97 97A date_variety:Tahmoot 2 country_of_origin=Morocco; brand_name=Arfoud souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 97 97B date_variety:Tahmoot 2 country_of_origin=Morocco; brand_name=Arfoud souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 97 97C date_variety:Tahmoot 2 country_of_origin=Morocco; brand_name=Arfoud souq; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 98 98 date_variety:Boufegous rqiq country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 99 99D date_variety:Maajoun country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 99 99B date_variety:Maajoun country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 99 99C date_variety:Maajoun country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 99 99A date_variety:Maajoun country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 100 100 date_variety:Boussakri country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 101 101 date_variety:Admoo country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 103 103B date_variety:Tarzawa country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 103 103C date_variety:Tarzawa country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 103 103A date_variety:Tarzawa country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 104 104 date_variety:Boozekri country_of_origin=Morocco; brand_name=Mghalba oasis; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 105 105 date_variety:Zaghlool country_of_origin=Egypt; brand_name=Hyat Plaza mall, Doha; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 108 108 date_variety:Deglet Bayda country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 109 109 date_variety:Deglet Nour Hourra country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 112 112 date_variety:Adam adaalee country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 113 113 date_variety:Tantebouchte country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 114 114 date_variety:Fegous country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 117 117 date_variety:Deglet Nour country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 119 119 date_variety:Telemsoua country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 120 120 date_variety:Adam bujamaa country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 122 122 date_variety:Tamjhourt country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 124 124 date_variety:Gharss country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 125 125 date_variety:Ddagla country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 126 126 date_variety:Tagarbushet country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 128 128 date_variety:Deglet country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 129 129 date_variety:Adam admaan country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 131 131 date_variety:Hameera country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 133 133 date_variety:Hamray country_of_origin=Algeria; brand_name=-; collection_info=Morocco Trip 2013 SUBJECT_SAMPLE_FACTORS 136 136 date_variety:Zehdi country_of_origin=Jordan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 137 137 date_variety:Lulu country_of_origin=Jordan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 139 139 date_variety:Siwa country_of_origin=Egypt; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 141 141 date_variety:Saeedi country_of_origin=Libya; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 142 142 date_variety:Kulma soda country_of_origin=Sudan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 143 143 date_variety:Grundeela/Qundeil country_of_origin=Sudan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 144 144 date_variety:Barakawi country_of_origin=Sudan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 145 145 date_variety:Sultana Bedeen country_of_origin=Sudan; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 146 146 date_variety:Aydea Al Qaseem country_of_origin=KSA; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 147 147 date_variety:Qatarah/Kattara country_of_origin=UAE; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 148 148 date_variety:Msalla country_of_origin=UAE; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 149 149 date_variety:Dabbas country_of_origin=UAE; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 150 150 date_variety:Sillege country_of_origin=UAE; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 SUBJECT_SAMPLE_FACTORS 151 151 date_variety:Harmayi Sadrati country_of_origin=Iran; brand_name=-; collection_info=Abu Dhabi Date Palm Festival 2013 #COLLECTION CO:COLLECTION_SUMMARY In the present study, 123 unique date varieties (Phoenix dactylifera) from 14 CO:COLLECTION_SUMMARY countries were collected in two separate occasions: A first collection took part CO:COLLECTION_SUMMARY in 2012 (DS1) and the second one in 2013 (DS2). The term variety is used here to CO:COLLECTION_SUMMARY describe a distinct phenotypic class of dates and if the same variety was CO:COLLECTION_SUMMARY collected from different countries, a different sample ID was assigned to each CO:COLLECTION_SUMMARY collected sample per country. Overall, dates from the first sample collection CO:COLLECTION_SUMMARY were mostly from the Gulf region obtained in a fairly dried condition from shops CO:COLLECTION_SUMMARY and festivals whilst the second sample collection was dominated by North African CO:COLLECTION_SUMMARY dates obtained mostly fresh from the palm trees. For the second collection of CO:COLLECTION_SUMMARY dates, field work permissions were obtained verbally from owners of visited CO:COLLECTION_SUMMARY oases. The marketed versus fresh nature of dates between the two sample CO:COLLECTION_SUMMARY collections implies varying post-harvest conditions. All collected dates with CO:COLLECTION_SUMMARY homogenous brown color were further dried by exposing them to open air for two CO:COLLECTION_SUMMARY weeks before further processing. With the second sample collection, while CO:COLLECTION_SUMMARY harvesting ripened fruits from the palm trees, immature fruits still undergoing CO:COLLECTION_SUMMARY ripening activity and occasionally late green Kimri fruits from the pre-ripening CO:COLLECTION_SUMMARY stage were collected when available. In total, 37 immature date fruits, CO:COLLECTION_SUMMARY corresponding to 10 date samples, were collected. With each of the 10 samples, CO:COLLECTION_SUMMARY the immature fruits were ranked by their extent of ripening based on visual CO:COLLECTION_SUMMARY assessment of color change and skin wrinkling. Each fruit was given an ID based CO:COLLECTION_SUMMARY on a combination of the sample number and a letter reflecting the fruit rank CO:COLLECTION_SUMMARY within the sample. In general, dates were considered mature if the low moisture CO:COLLECTION_SUMMARY prevented any further change in their appearance. Notably, maturity is attained CO:COLLECTION_SUMMARY naturally with the dry class of dates but often artificially with the soft class CO:COLLECTION_SUMMARY of dates owing to intrinsically higher moisture levels. CO:SAMPLE_TYPE Date palm fruit CO:COLLECTION_LOCATION Differnt locations specified in the CO:COLLECTION_DURATION 2012 - 2013 CO:STORAGE_CONDITIONS -80C #TREATMENT TR:TREATMENT_SUMMARY The aim of this study was to determine metabolic phenotype of the date palm TR:TREATMENT_SUMMARY fruits without any treatment at the baseline. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Sample pre-processing for DS1: 50 mg of the peel and flesh of the date fruits SP:SAMPLEPREP_SUMMARY were flash frozen in liquid nitrogen and extracted as previously described SP:SAMPLEPREP_SUMMARY (PMID:21699588). Sample pre-processing for DS2 The beads were added to the SP:SAMPLEPREP_SUMMARY pre-weighed frozen samples together with water (8 µL of per mg of sample) for SP:SAMPLEPREP_SUMMARY homogenisation. The samples were continuously stirred on the GenoGrinder (Glen SP:SAMPLEPREP_SUMMARY Mills GenoGrinder 2000, Germany) at 1000 strokes per minute for five minutes, to SP:SAMPLEPREP_SUMMARY ensure complete homogenization. 100 µL of aliquot from each sample was SP:SAMPLEPREP_SUMMARY transferred to the plates. The samples were loaded on three plates. To each SP:SAMPLEPREP_SUMMARY sample, 450 µL of extraction solvent (MeOH with 10 µL /ml chlorophenylalanine, SP:SAMPLEPREP_SUMMARY 2.5 µL /ml 2-fluorophenylglycine, 25 µg/ml d-6 cholestrol and 25 µL /ml SP:SAMPLEPREP_SUMMARY tridecanoic acid) was added. The samples were then shaken on the GenoGrinder SP:SAMPLEPREP_SUMMARY (GenoGrinder, Spex, USA) at 675 strokes per min for two minutes and centrifuged SP:SAMPLEPREP_SUMMARY at 2000 rpm for 5 minutes on a Beckman centrifuge (Beckman GS-6R Centrifuge, SP:SAMPLEPREP_SUMMARY USA) at 40C. The extracted samples were divided into equal parts for SP:SAMPLEPREP_SUMMARY metabolomics analysis on the Gas Chromatography Mass Spectrometry (GC/MS) and SP:SAMPLEPREP_SUMMARY the Orbitrap Elite accurate Liquid Chromatography Mass Spectrometry2 (LC-MS-MS) SP:SAMPLEPREP_SUMMARY platforms. Four sets of samples were prepared by the Hamilton robot (Hamilton SP:SAMPLEPREP_SUMMARY Star, Germany) by transferring 110 µL aliquots from each well to three PCR SP:SAMPLEPREP_SUMMARY plates, each for LC positive, LC negative, replicate set and one to 250 µL auto SP:SAMPLEPREP_SUMMARY sampler vial inserts for GC. All samples were dried for 120 minutes by using a SP:SAMPLEPREP_SUMMARY Zymark Turbovap 96 (Zymark Turbovap, USA) followed by overnight incubation in a SP:SAMPLEPREP_SUMMARY drybox to ensure optimal dryness of the sample. Sample processing DS1 and DS2 SP:SAMPLEPREP_SUMMARY Metabolite measurements with Ultrahigh Performance Liquid Chromatography/Mass SP:SAMPLEPREP_SUMMARY Spectroscopy (UPLC/MS/MS): The UPLC/MS/MS analysis was based on the Waters SP:SAMPLEPREP_SUMMARY ACUITY ultra performance liquid chromatography (Waters Corporation, USA) and the SP:SAMPLEPREP_SUMMARY ThermoFischer Scientific Orbitrap Elite high-resolution accurate mass SP:SAMPLEPREP_SUMMARY spectrometer (Thermo Fischer Scientific Inc., USA) equipped with a heated SP:SAMPLEPREP_SUMMARY electrospray ionization (HESI) source and an Orbitrap mass analyzer. The dried SP:SAMPLEPREP_SUMMARY sample extracts for the LC positive and LC negative mode were reconstituted in SP:SAMPLEPREP_SUMMARY acidic and basic LC- compatible solvents. Two independent injections were SP:SAMPLEPREP_SUMMARY performed on each sample using separate dedicated columns for optimized acidic SP:SAMPLEPREP_SUMMARY positive ions and the other for optimized basic negative ions. The acidic SP:SAMPLEPREP_SUMMARY samples were reconstituted by gradient elution of water and methanol containing SP:SAMPLEPREP_SUMMARY 0.1 % formic acid whereas; the basic samples were reconstituted by gradient SP:SAMPLEPREP_SUMMARY elution of water and methanol containing 6.5mM ammonium bicarbonate (PMID: SP:SAMPLEPREP_SUMMARY 19624122). The mass spectra analysis alternated between MS and data dependent SP:SAMPLEPREP_SUMMARY MS2 scans using dynamic exclusion. Metabolite measurements with GC/MS: The SP:SAMPLEPREP_SUMMARY samples assigned for the GC/MS analysis were further dried under vacuum SP:SAMPLEPREP_SUMMARY desiccation for an entire day and derivatized under dried nitrogen using SP:SAMPLEPREP_SUMMARY bistrimethyl-silyl-trifluoroacetamide (BSTFA). The GS/MS analysis was based on a SP:SAMPLEPREP_SUMMARY Thermo FinniganTM TRACETM DSQTM (ThermoFinnigan, USA) fast-scanning single SP:SAMPLEPREP_SUMMARY –quadrupole mass spectrophotometer using electron impact ionization source. SP:SAMPLEPREP_SUMMARY The GC column was 5% phenyl and the temperature ramp range was from 40 to 3000 C SP:SAMPLEPREP_SUMMARY in a time span of 16 minutes. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The LC/MS portion of the platform was based on a Waters ACQUITY CH:CHROMATOGRAPHY_SUMMARY ultra-performance liquid chromatography (UPLC) and a ThermoFisher Scientific CH:CHROMATOGRAPHY_SUMMARY Orbitrap Elite high resolution/accurate mass spectrometer, which consisted of a CH:CHROMATOGRAPHY_SUMMARY heated electrospray ionization (HESI) source and orbitrap mass analyzer operated CH:CHROMATOGRAPHY_SUMMARY at 30,000 mass resolution. The MS analysis alternated between MS and CH:CHROMATOGRAPHY_SUMMARY data-dependent MS2 scans using dynamic exclusion. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:INSTRUMENT_NAME Scientific Orbitrap Elite high resolution/accurate mass spectrometer CH:COLUMN_NAME C18 reversed phase column #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Metabolon, Inc. #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Orbitrap Elite Hybrid Ion Trap-Orbitrap MS:INSTRUMENT_NAME Scientific Orbitrap Elite high resolution/accurate mass spectrometer MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Counts per second (cps) MS_METABOLITE_DATA_START Samples 1.2 1.3 2.2 4.1 4.2 5.2 5.3 6.2 7.2 7.3 8.1 8.3 9.1 9.3 10.2 11.1 11.3 12.1 12.3 13.2 14.1 14.2 15.3 16.1 16.2 17.3 18.2 18.3 19.3 20.2 20.3 21.3 22.2 23.1 23.3 24.2 24.3 25.2 26.1 26.2 27.2 27.3 28.3 29.1 29.3 30.3 31.2 31.3 32.1 34.1 34.3 35.2 36.3 37.2 37.3 38.1 38.3 39.1 40.1 40.3 41.1 41.3 42.1 42.3 43.3 44.1 44.2 45.1 46.1 46.2 47.1 47.2 48.1 49.2 49.3 50.1 51.2 51.3 52.1 52.3 53.2 54.1 54.2 55.3 56.1 57.2 57.3 58.3 60.2 61.1 61.3 62.2 64.2 64.3 69.3 70.2 83 75 103B 73 113 85 93C 85A 122 78 97A 90 103C 142 87 86 89E 80 109 89 74 148 44 139 89C 147 60 77 82 146 27 91F 136 101 89D 117 10 99D 91 125 149 84 96 11 108 61 87B 99B 145 99C 128 100 71 150 92E 144 88 85C 87C 137 143 119 90A 92 99A 50 103A 114 124 131 133 126 89A 89B 97B 97C 93 30 141 91A 105 151 22 24 81 92A 92B1 92C 92D 112 129 120 90B 90C 93D 72 104 98 79 91H Factors date_variety:Aseela date_variety:Aseela date_variety:Piarom, Grade 1 date_variety:Rabee date_variety:Rabee date_variety:Khasoy date_variety:Khasoy date_variety:Ayash date_variety:Mumtaza date_variety:Mumtaza date_variety:Nawader date_variety:Nawader date_variety:Zamlee date_variety:Zamlee date_variety:Sheshe date_variety:Menefi date_variety:Menefi date_variety:Berni date_variety:Berni date_variety:Ambara date_variety:Sultana date_variety:Sultana date_variety:Jabri date_variety:BuMaan date_variety:BuMaan date_variety:Safawin date_variety:Saeedi date_variety:Saeedi date_variety:Gagee date_variety:Ghazelee date_variety:Ghazelee date_variety:Malakabi date_variety:Ibrahim ( Iraqi Ajwa) date_variety:Um Alamod date_variety:Um Alamod date_variety:Khiyara date_variety:Khiyara date_variety:Barani date_variety:Sangol date_variety:Sangol date_variety:Aseel date_variety:Aseel date_variety:Gorakh date_variety:Zayaki date_variety:Zayaki date_variety:Burmeel date_variety:Berni date_variety:Berni date_variety:Abel date_variety:Sagai dry date_variety:Sagai dry date_variety:Khudry date_variety:Ajwa medina date_variety:Safawi - medina date_variety:Safawi - medina date_variety:Sagai - Rotab date_variety:Sagai - Rotab date_variety:Rushydia date_variety:Naboot Sultan date_variety:Naboot Sultan date_variety:Sufri date_variety:Sufri date_variety:Shieshi Rotab date_variety:Shieshi Rotab date_variety:khlas date_variety:Mabroom date_variety:Mabroom date_variety:Medjoul date_variety:Naboot Ali date_variety:Naboot Ali date_variety:Amber - medina date_variety:Amber - medina date_variety:Mabroom date_variety:Sukary date_variety:Sukary date_variety:Khudry date_variety:Dried dates date_variety:Dried dates date_variety:Sufri date_variety:Sufri date_variety:Safawi date_variety:Mabroom date_variety:Mabroom date_variety:Kheneizi date_variety:Suqai date_variety:Safawi date_variety:Safawi date_variety:Sagai date_variety:Allig date_variety:Hamrata date_variety:Hamrata date_variety:Grenja date_variety:Deglet Nour date_variety:Deglet Nour date_variety:Medjoul date_variety:Sukkary date_variety:Wahardan date_variety:Sayer date_variety:Tarzawa date_variety:Jihl date_variety:Tantebouchte date_variety:Azaghzaw date_variety:Booserdoon date_variety:Azaghzaw date_variety:Tamjhourt date_variety:Bouzagza date_variety:Tahmoot 2 date_variety:Mejhool date_variety:Tarzawa date_variety:Kulma soda date_variety:Tazgaghzt date_variety:Bouslikh date_variety:khalt-lhammar date_variety:Agalid date_variety:Deglet Nour Hourra date_variety:khalt-lhammar date_variety:Tadment date_variety:Msalla date_variety:Mabroom date_variety:Siwa date_variety:khalt-lhammar date_variety:Qatarah/Kattara date_variety:Allig date_variety:Hafs date_variety:Najda date_variety:Aydea Al Qaseem date_variety:Aseel date_variety:Belahzit date_variety:Zehdi date_variety:Admoo date_variety:khalt-lhammar date_variety:Deglet Nour date_variety:Sheshe date_variety:Maajoun date_variety:Belahzit date_variety:Ddagla date_variety:Dabbas date_variety:Bid-djaj date_variety:Bekri-khder date_variety:Menefi date_variety:Deglet Bayda date_variety:Hamrata date_variety:Tazgaghzt date_variety:Maajoun date_variety:Sultana Bedeen date_variety:Maajoun date_variety:Deglet date_variety:Boussakri date_variety:Fegous-ghlid date_variety:Sillege date_variety:Shetwia date_variety:Barakawi date_variety:Tamaright 2 date_variety:Azaghzaw date_variety:Tazgaghzt date_variety:Lulu date_variety:Grundeela/Qundeil date_variety:Telemsoua date_variety:Mejhool date_variety:Shetwia date_variety:Maajoun date_variety:Khudry date_variety:Tarzawa date_variety:Fegous date_variety:Gharss date_variety:Hameera date_variety:Hamray date_variety:Tagarbushet date_variety:khalt-lhammar date_variety:khalt-lhammar date_variety:Tahmoot 2 date_variety:Tahmoot 2 date_variety:Booserdoon date_variety:Burmeel date_variety:Saeedi date_variety:Belahzit date_variety:Zaghlool date_variety:Harmayi Sadrati date_variety:Ibrahim ( Iraqi Ajwa) date_variety:Khiyara date_variety:Lakhal date_variety:Shetwia date_variety:Shetwia date_variety:Shetwia date_variety:Shetwia date_variety:Adam adaalee date_variety:Adam admaan date_variety:Adam bujamaa date_variety:Mejhool date_variety:Mejhool date_variety:Booserdoon date_variety:Majhool AA date_variety:Boozekri date_variety:Boufegous rqiq date_variety:Boukhanda date_variety:Belahzit 1-linolenoylglycerol NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 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281006 336718 294250 141533 172626 308802 230843 1110413 139100 201444 233324 296557 294495 244923 1182723 352133 348627 731956 195975 189309 166718 324854 118959 452033 243233 325971 429729 200967 249211 244940 171416 283832 681405 297861 195725 165505 319426 71613 316839 112178 190969 89302 326248 253736 470187 80830 62791 269835 270499 310440 336500 272049 63584 258888 586175 354611 195600 545983 78186 87048 107422 110439 399842 317946 627706 296001 282375 330206 185762 569384 1066331 374411 255875 10-nonadecenoate (19:1n9) 152461.2188 116574.5469 124968.8125 95312.75 120580.8906 160815.3438 100521.4219 190273.2656 154597.3906 212039.9063 291542.3438 161100.6094 262248.0938 155836.2656 188226.4531 184087.1406 234395.2813 138426.2813 134699.6406 153592.4531 260624.9844 234508.7188 758715.25 266537.4688 166596.1563 149158.2188 246498.9219 135261.4531 211827.0781 165308.6094 121897.8125 89561.6016 184008.6094 159968.5313 217865.5 232761.8906 329277.2188 632342.25 147823.6875 157310.1406 157258.3438 112765.2266 291724.1563 187734.7344 218280.1563 131055.1875 128111.5859 182015.5469 214659 180007.8438 121928.375 150957.5938 231005.3438 107470.4844 166596.1563 73695.6094 58026.5234 152210.0625 230972.0469 166894.9219 167883.7031 165939.625 168135.3125 158908.5 335070.7188 159009.2188 293853.4688 495287.4375 189207.1406 142400.1094 191752.8281 240647.2656 123362.6719 151528.6719 141307.0156 314059.875 186463.1406 224811.5938 177943.0156 155694.2188 164434.3906 154428.9531 120513.0938 265716.9688 100416.1484 204048.2344 126898.7813 195719.7656 218525.9219 160793.7656 164807.8125 358540.5938 178279.2188 308010.5313 172974.5313 110059.6953 58055 58193 29901 21452 297559 48326 18997 14565 65075 73263 19075 31618 56455 74956 210460 23782 19329 43969 123288 171206 23335 132072 208296 102428 65362 104210 46173 115716 143982 57852 22675 53873 42394 55905 138380 54517 56306 48300 38619 101901 80847 169371 56503 56503 141237 57187 34214 27008 74606 25817 121746 32032 77792 61035 456771 55154 42655 64239 48932 181403 82669 152152 27284 64762 20708 125529 17189 44957 25371 132621 75489 136191 16918 17173 21940 35686 24264 18205 38464 22455 40481 139960 69075 71396 91077 15159 17848 18677 23608 293015 212052 355368 29798 63531 26759 81440 106797 245722 64329 46718 12,13-DiHOME 1374923.5 347769.4375 940687.6875 688404.4375 496612.8125 560175.5625 468350.1563 525145.1875 500148.4375 351454.2188 400241.625 271555.9063 277550.25 371150.2813 802104.1875 704273.9375 765309 429272.6875 593400.1875 498279.9063 638208.375 606912 345517.4688 293722.8438 216426.9375 376377.2188 529451.4375 616862.375 694687.6875 380426.2188 708077.125 609415.75 1414367.25 598414.1875 394396.1563 331372.125 707067.8125 735190.375 401457.6875 479708.0938 191619.25 305035.6875 476203 622409.5 860220.75 1524863.75 549840.375 768591.4375 916915.6875 370471.0313 314396.25 147830.1406 446772.3438 174632.5781 301361.125 542753.5625 630635.75 370029.2188 462531.4063 257951 351380.375 379502.75 474168.875 416334.25 278094.5313 418881.75 546554.125 345106.25 525604.5625 780082.625 1072833.5 679675.125 372191.3438 785719 1016413.8125 482423.5313 287483.9063 1448975.625 744464.0625 468350.1563 388407.625 283512.0625 369878.0625 225462.3125 207915.0469 111665.0703 226733.4375 208702.75 1099218.5 768399.0625 1103752.625 255240.1719 203321.5625 425601.0625 454551.5625 402179.25 1207904 1850716 419687 773566 929497 2617804 194773 7239 2494885 3398219 9078 1118820 510303 604468 1587188 1337804 381458 518671 599559 8716882 1562866 1389894 1866144 642210 343660 849805 1224279 1193503 1416934 430659 365892 562524 2568836 497621 1273925 206770 477726 628219 1666765 572047 545886 2425456 1730709 900313 882976 930267 677423 241814 162905 585489 173718 519033 996042 611279 944343 1013829 423500 189955 173023 873218 677423 583876 407461 1727435 36839 685464 181043 664813 1013891 989617 2518318 560857 14192 8754 884571 810075 416685 712635 406837 2791 703860 851536 1786834 493014 941701 14828 12341 76480 892615 1945007 211339 1147853 702718 630822 505709 474413 1743515 1292092 1487746 177754 13-HODE + 9-HODE 12202995 3818602.25 5329201.5 2998226.25 4227191.5 5525099.5 4687391.5 3528447 4994098.5 6361993.5 4082252.25 3999722 4094184 4663140 5123561 4695303.5 4797877.5 4110511.75 4666078.5 3672022.75 3485516.75 4959491 3117373.25 4529830 5200890.5 1549069.75 3572252.75 3913695.25 4582391 1768833.875 5443819.5 10794119 9169151 6199508.5 4556110.5 1876092.75 4852756 10324973 5221349 6356381.5 2150386.25 4065913.25 6605599.5 10657590 23783092 6906018 2205125.75 4329584.5 6570102.5 5498818.5 6138596.5 1117045.5 3926452.5 1051642.625 2658008 2215857 2397901 7045837.5 6358630.5 4515116 2525412.5 3228745.5 5937455 4344261.5 3640552.75 3391156.75 5954846.5 4661774 4720223 7622746.5 10561598 18141722 3054007.25 11753066 13078980 4556110.5 1897918.75 20493598 4734685.5 3176507.75 3309644.5 2426249.5 3778219.75 3086184.75 2256627 2863191.5 1544812.5 2001026.375 8248218 7909900 8079885 3895636.5 2599941.5 5192021.5 2122851 5662112 1628559 4091864 1008565 3620257 2813128 4857079 320462 22037 9848652 5535531 31660 1356275 528824 1571960 6339924 2090807 1241807 2408885 3541200 8824008 5756968 5550046 7137106 1412069 1400599 1862565 1130736 2623736 1430255 6045575 1551150 739171 20970766 1415007 1935712 1241848 1571960 1461372 1976845 2435403 2627585 5621048 3141929 3833865 1946995 2952528 1156791 835614 260819 1409360 314180 1047084 3045379 2115811 1388481 2635621 3245916 1025277 268865 7118914 2610480 1307754 943186 3499828 145084 5540918 353375 1928559 2123637 3763058 9897453 1183244 30451 60031 1525794 1529131 774223 1569983 714143 15916 2770082 5639545 7272901 1355295 1573936 76789 91768 395438 1056019 4764938 930527 3698313 553580 689832 1373193 919858 5636037 2714070 4542165 353457 2-hydroxy-3-methylvalerate 32844.4844 43264.7461 42999.8555 60612.8789 70476.0313 62514.6445 57324.8984 49565.7539 46388.5664 70749.0391 47148.6797 49264.332 142014.625 133553.8438 60061.1484 43023.5977 53197.1563 35875.3594 30826.4492 36416.3164 83166.5156 39204.1641 48796.7266 48981.0039 52460.5078 32204.3359 91822.0391 57304.418 61937.3906 55116.7148 40175.3984 22815.3477 32636.3379 14836.9434 18735.418 24624.9102 25567.7441 31803.2676 66242.7031 85158.7344 50150.5078 34040.0313 68099.4688 26136.793 103765.9219 24157.4414 22683.1875 26502.5469 35040.0273 67859.0547 77745 90868.6875 49565.7539 48607.793 58177.5352 58438.457 47564.875 69001.1328 31336.0781 20238.1055 42800.5156 38070.7578 73643.0547 82475.9609 66949.2578 43221.668 53913.6992 59839.5195 127582.7969 91277.5781 27135.5195 34101.6797 63373.1641 36299.3438 50396.1758 104412.4453 37716.3633 26394.4629 43880.7813 35645.9023 53685.2227 47716.2969 49226.3984 82999.3672 47575.7656 8346.3809 58505.3242 74503.0625 71191.2031 80397.9766 66013.2891 133442.5625 147496.5156 424964.375 34607.4648 120677.5078 28634 11913 32908 32466 190961 54098 22748 0 21029 82357 0 11313 53653 38263 39013 17921 6254 27429 58550 39013 19786 45234 39197 25696 8376 67114 69895 49665 171267 32615 44486 15369 27890 60655 34330 45799 42287 42290 22762 58287 43305 10254 14318 26517 115461 52299 24411 53217 89301 31881 42239 51428 96235 76217 224371 61756 34935 15879 54360 40997 34288 88053 6896 23130 0 91438 79828 42920 12014 35412 24359 79656 0 0 38835 33564 37625 39190 52064 0 120000 102315 35700 23081 27712 0 0 26324 23286 110818 78393 102130 9297 9856 38138 11871 57899 36748 42632 53992 2-hydroxypalmitate 296793.5 177213.7031 298937.7188 270852 218211.8594 331062.125 176111.2656 284054.5938 646880.0625 1668423.375 600137.625 408819.4063 373204.4063 228074.5156 189971.2813 348254.125 384120.4375 316052.5938 188908.375 231053.9688 282868.9688 585937.4375 844193.25 649560.4375 302731 358492.8125 165374.5156 217174.4688 322468.6875 267157.2188 121563.4766 428850.4375 780435.625 429720.0313 361401.125 470296.0313 314756.5938 624016.4375 651683.6875 698707.25 266813.5938 185064.1875 492873.5938 612969.5625 219478.0469 101536.3906 340398.375 358885.625 282915.7188 345974.6875 97136.7813 342532.625 352156.9375 256537.5938 202314.9844 450366.4063 403890.7188 0 510252.0313 326333.0938 487775.9375 356301.125 174814.5781 210070.8281 603222.875 668308.4375 878820.875 468972.25 0 310195.9688 227454.4375 284318.625 169793.7031 260533.4063 197319.7813 471721.8438 629621.375 835481.5 480821.7188 361513.1563 357958.2813 335957.3438 229167.4844 413003.0625 223755.6563 1958225.125 214421.2969 418255.3438 216571.5469 319219.9063 473997 265875.6563 350469.0313 250743.3281 1009328.1875 338091.5625 97630 81117 66838 84170 98470 91852 76947 75980 639021 159906 34685 86328 260309 127511 105907 51028 94286 52343 90798 345301 79260 520078 953015 121155 119873 675489 100113 70147 133811 106524 96878 59829 186286 86514 170180 72590 90505 97603 64427 134758 112497 247481 73455 159259 0 130877 89685 353720 220988 330047 151933 204224 390367 129957 265915 191380 72581 68401 72361 150473 470164 175531 58816 155244 88617 250001 87356 72327 108325 403432 125477 70454 84159 105430 109397 70882 88921 64715 54999 55369 1704821 940604 184918 101755 101202 77591 50078 55653 99024 401698 91546 80847 92679 86736 108853 109052 68596 1220550 166655 82861 2-hydroxystearate 162371.2344 72477.0781 134993 147885.1406 122905.2656 144537.5469 94867.3672 227305.9063 334895.9063 902660.0625 279798.3438 181913.375 241183.5469 204594.0938 126004.6719 261294.5625 256518.7344 119193.7969 0 78253.5156 168950.9063 164512.7969 803855.4375 269462.5625 106716.5938 0 63486.5781 131391.7188 161360.7344 130092.6797 61356.5117 391815.25 426168.4375 276345.3125 202189.1875 282396.375 0 579458 412768.6563 323233.75 140463.4844 102606.3125 445696.8125 542988.875 174203.0469 106603.6797 182408.1875 147473.3281 0 163088.3594 0 183711.4375 145195.2188 192740.9219 162181.1875 313955.8438 333800.75 0 382347.1563 144141.0156 339937.625 308904.0938 108572.6094 54982.043 218254.1094 361007.5938 426459 303945.25 84089.5 76339.3906 129640.9844 233691.2656 118789.6172 108671.0469 86287.9375 220824.3906 290449.9375 325228.1875 288791.1563 227493.1094 199818.1094 177514.3438 107988.2656 191421.7656 89337.4375 1067607.375 97974.0703 183216.625 133342.7969 156386.0313 565221.5 122340.5547 206212.7656 116709.5391 701494.75 213478.8438 61719 41746 36754 59154 92135 72659 52459 35246 194162 83448 38879 45412 133252 77233 44055 37406 109917 33931 33863 348644 38730 205441 486631 82022 161650 322903 52067 33071 85649 62842 36417 36113 76447 37105 206760 61270 32331 47728 52183 64071 65606 124481 33925 93655 89519 76012 65606 163536 137333 187672 64679 99944 197756 98022 350948 123813 36042 30863 53244 77407 269118 132893 42829 111105 67122 107927 28546 33993 76346 163871 63896 65606 85682 75440 83281 58934 0 35069 28411 36544 1157017 478143 123500 56805 92564 45090 28548 44884 82382 215967 66186 49242 60873 49493 34896 64005 58251 381319 89357 44153 2-isopropylmalate 448115.2188 328436.9375 53812.8164 1053372.125 458037.4063 205175.25 205432.25 165375.2813 137857.25 621103.4375 376172.3125 462304.125 139750.1563 174041.6406 445649.7813 131534.75 282478.0625 198187.6875 169463.5938 108300.6953 211544.6719 157730.0313 195279.6563 276760.2188 271078.0313 174397.6406 470907.8125 289033.625 211740.3906 913770.75 816308.8125 405314.4375 270851.7188 590377.1875 692547.375 285908.5 308580.4375 395533.0938 407650.6563 319796.625 209272.3906 102230.3672 290984.2813 234018.3281 205162.8125 165345.5938 413869.4375 471085.0625 438095.75 228120.1406 150687 289615.8438 576522.3125 131055.2969 283829.0938 491984.125 468815.8438 306037.0313 235138.4063 261690.3906 248408.7188 95836.2031 591618.4375 422041.125 616458.125 214816.1719 314422.25 435231.875 184902.8594 281334.375 163400.2344 154490.4531 286806.5 733256.5625 659330 717929.875 178213.8281 97817.1016 205893.4688 216126.4063 92936.6172 145348.7344 129162.3047 650809.4375 186254.6563 148947 101240.6016 416751.7813 504722.8125 281334.375 165970.5 390020.2813 320807.875 374053.75 203210.9219 905149.0625 252703 296124 251763 24249 278148 102251 218119 213900 379741 384576 40023 265583 558546 195562 167601 265695 311837 284202 506807 223745 172589 204773 212773 346815 297629 114138 229950 148451 924645 276087 74839 179401 220837 126560 198964 317314 416686 227864 210714 121038 346781 114273 131478 121925 766587 238154 133283 460399 299312 380764 117914 173859 159100 362910 237383 481303 179892 211076 304054 257163 234664 331484 147755 72112 305637 373696 371447 166746 103126 239816 102255 309860 424788 227864 358499 168511 202627 157256 272619 84985 100626 647654 218344 225436 347107 337887 216849 55199 60148 180202 211461 397243 171598 170693 192431 266496 619518 243930 411377 306040 2-linoleoylglycerol (2-monolinolein) NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 50653 88820 111451 9711 179894 53315 240690 3419 248170 19106 126110 35245 107502 48869 43126 71906 289309 11983 45905 196575 60141 64979 103523 13412 233900 151993 61010 67921 216850 68054 159602 183601 113072 47882 650483 123748 15059 43942 142591 89731 40891 39206 182942 31897 159296 164886 72646 40494 63717 47922 104539 131058 74778 22014 827439 107718 55246 309356 173373 79423 133423 3138 77707 63442 488985 71720 184908 88820 34408 160803 78382 176916 358555 232972 124647 80226 110044 68780 124821 87908 282953 40968 83695 37175 63903 650937 483216 431092 632837 43590 123190 245356 180265 82237 93915 44296 128321 30862 136798 64097 2-methylcitrate 197470.3594 246663.3906 277421.8438 141171.5938 162395.4531 345741.8125 176325.0938 337942.875 245911.7656 340903.1563 399422.7188 274828.3125 331174.8125 261780.1563 246124.625 104227.8594 130306.5781 131288.9063 96968.1719 144549.5781 160592.7656 166454.1563 189546.125 102018.8438 62656.9258 146495.5156 164109.7344 127393.5078 90847.4453 40664.8789 28328.1777 59859.7969 124098.8047 155924.3594 169660.8125 94444.4141 122696.3203 132006.75 133367.0625 212000.75 112391.6406 102284.8672 135196.3594 86231.1172 120412.6016 97778.7656 71901.0078 114028.7344 69950.2656 186818.5625 96106.2109 117799.3906 95203.0547 143930.7031 180620.8438 81752.9531 167977.5156 71747.5547 221458.7031 169339.1406 81969.1641 127185.1563 137369.9844 239075.8125 299779.9688 177238.6094 184821.8906 120645.4375 139270.7813 167631.8281 144920.1719 75701.5469 107985.0391 336459.9375 233627.3438 190535.75 115271.1953 150895.6406 134458.6875 139270.7813 140902.4531 132833.9688 130005.9453 503058.3125 105756.7109 153483.25 143473.5156 174299.2969 148989.0469 68682.5313 89200.4063 72732.6094 92404.9766 105393.2031 130275.7422 254157.2031 74203 114929 36071 30585 55556 96042 45261 40402 92006 38782 35172 64335 53239 34302 138182 52674 118550 70059 91981 168821 56177 93093 122894 77830 94123 140342 72516 54586 88944 63866 67299 56515 47641 55027 95300 72232 68020 67299 59819 67184 86675 119504 45089 71626 97379 49694 34257 110050 37202 79555 37681 36385 123628 231462 114346 3803 48364 98943 49992 67413 66938 107213 55242 184393 39114 96722 43508 60027 42743 107551 52848 107380 80379 47036 73931 77876 59232 54972 65966 27001 52395 216994 63513 83831 97013 30130 23078 103044 120322 119183 122119 71793 59113 66211 58220 70531 68518 102493 66102 44486 2-oleoylglycerol (2-monoolein) NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 15062 33752 134011 5224 195886 39443 30302 11594 38271 6230 4095 40909 94464 43234 26024 23559 127469 20050 78795 139692 23600 27936 52812 20466 339678 42420 9081 25097 475566 13128 87038 87006 151886 10592 339705 39997 14950 16696 34689 70263 39525 37811 13013 21869 64987 73609 28388 34735 12352 36812 99632 60116 59470 12245 120052 73036 20444 253543 53211 57933 25726 33316 38412 41006 66713 22387 125306 36598 15557 17678 14886 102910 166536 61688 72318 40663 19838 15463 22858 14079 97686 19480 19701 15432 20319 118089 61178 264485 664759 37175 144670 319125 39378 38041 15969 38041 105058 22500 6659 12898 2-palmitoylglycerol (2-monopalmitin) NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 54910 69583 355725 57645 310073 58063 219771 27648 179842 96207 60296 74430 144333 156863 82913 108102 104142 185950 187511 74048 34306 178442 91203 70401 268099 129257 131465 119597 333824 165750 78596 186507 580052 68388 828935 529798 98404 73757 98334 200968 110604 86849 171498 70259 182114 360870 305313 112093 180367 205876 138790 255072 26156 25086 307497 313507 81158 140216 132491 181098 280168 53369 107713 109511 56161 105169 203177 57308 95546 49886 125208 216677 33071 37996 113581 236132 211018 81180 69201 25649 257911 49064 166932 71035 96216 91305 93405 159135 381025 43295 205687 472872 139631 112093 622045 55560 136550 4483 71670 92468 2-palmitoylglycerophosphoethanolamine* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 2991 20615 4534 10774 0 20503 0 4390 0 11433 2580 0 3785 0 3888 55585 0 4468 3481 0 0 0 0 77298 0 5061 6024 0 0 0 9644 2876 8100 30985 11273 0 0 4512 0 0 5744 2829 0 4662 11441 5377 0 8674 0 14667 40575 0 0 0 11197 5647 38221 0 3279 4806 0 7612 0 17952 0 17925 3017 0 0 6836 13230 16970 11344 0 10159 23378 3330 0 4223 8824 0 0 0 3897 22458 44907 90378 46622 0 0 13320 8974 11950 26657 0 4455 0 0 8004 2-palmitoylglycerophosphoglycerol* NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 6567 2226 8083 0 11928 0 0 0 1948 0 0 7147 0 0 9651 0 0 0 0 0 0 0 19328 0 0 8370 7679 0 0 5154 15885 0 58905 0 0 0 0 0 0 4813 0 0 15985 5224 1683 0 0 3536 5285 15625 0 0 25766 9348 0 13066 8573 7269 9847 0 5943 0 4307 0 7147 0 0 0 0 0 0 2685 0 7024 4303 0 0 2534 6425 0 0 0 0 0 2144 9323 17552 0 0 17889 4356 3554 0 0 3814 0 0 9887 3-(4-hydroxyphenyl)lactate 15521.7607 32525.7168 7555.1177 83042.4531 37194.207 27710.4531 25778.6328 0 30940.9531 25175.6211 28715.6621 32454.4453 22495.9805 24854.0938 31339.3633 18516.6094 20333.1934 19403.7695 17490.1172 28190.3457 41399.3789 43085.0586 35536.6758 41778.8359 39578.5195 15534.3682 23099.0176 28532.2109 44395.0117 489945.125 246068.9063 59654.5039 19384.6543 27091.9277 38967.3555 25407.9727 45817.5547 48640.6758 64332.9063 78748.1797 199471.5781 90519.5859 129551.8516 127707.0859 232297.625 37512.2227 33876.875 34518.8984 44105.9375 34805.1367 33149.9961 30155.8574 25027.5742 12301.3184 11478.3477 190105.5313 117914.6328 62716.7422 25068.2832 23622.4961 31669.3496 25005.9199 26590.2148 30417.8926 37198.4063 17185.6309 31305.1504 47599.1445 34845.5977 50665.6055 14403.0264 42945.3984 22955.1289 17169.6934 18081.1641 56575.9297 24175.2598 75547.2813 18897.6484 16601.6582 23331.0059 17439.1094 23619.459 25800.582 16715.1152 0 15389.3408 26420.8711 150342.9531 0 24727.5898 51639.7734 101187.1641 313997.5313 19865.7598 35317.6133 9514 11485 39764 17269 32343 15377 13496 0 8946 0 0 4727 61543 50550 12337 0 0 2635 53003 874 3246 17557 26094 8607 2936 30739 72027 42544 192831 14797 98726 7622 13110 55907 11587 36424 10393 14409 4347 18348 21525 3715 2589 9728 172763 20030 102947 23295 118438 8551 25382 30870 100423 22256 216973 27871 84394 5436 127511 6632 54286 16766 2824 15751 0 31708 105460 12388 5756 8024 7900 31729 0 0 79818 8100 18700 14147 12379 0 265868 17845 16490 25724 11805 0 0 24350 15245 32682 32961 21588 3745 2522 17606 8261 58786 13754 22702 14983 3-hydroxydecanoate 20426.7148 10297.5605 4336.6641 6519.481 5634.4233 3694.166 6429.5322 4387.3218 4112.2461 7320.5674 2328.0867 6167.0532 4659.7075 5451.2617 6669.271 5636.0098 11436.2939 6560.2617 3910.2097 3935.6824 6597.5068 8327.9023 5019.9194 5411.3032 4646.5425 4992.5688 9138.2021 10881.6387 10131.6328 4909.1069 6538.4917 5885.8076 6632.3394 6671.1714 6178.3892 9095.4932 7822.5352 5561.1104 8549.5137 11475.583 7368.8965 9664.7227 9896.9326 8751.4014 10219.9951 11071.4199 8570.9814 7883.8193 9410.4072 11832.3926 11538.7646 8792.6953 7489.4717 2885.4001 10479.5479 21723.623 6124.0288 18401.1973 8086.7676 9400.3418 12670.3223 4637.1118 8123.0625 12542.2197 9854.1201 6198.4414 6624.0117 6942.2944 12207.6035 17756.377 7172.313 6733.2998 6160.1289 11634.1816 8992.1758 9390.2334 6976.8325 6201.916 7079.2065 4434.3345 6299.3374 5196.4546 7246.4399 12545.7686 9227.8057 0 7056.6436 7123.9824 9837.1123 8514.625 5713.9438 8657.668 10779.4023 9772.835 6965.7754 10549.0791 17463 16560 13145 7107 9779 11224 14378 9617 9246 8073 0 8152 18378 7194 22300 9617 5160 16926 22404 9678 5740 5413 12842 12149 5265 12959 12256 10104 21397 17310 10089 5727 14097 12855 5549 21109 8582 7179 8310 12203 10796 8928 8601 6656 5576 2645 6875 18961 5484 6733 17183 9347 22228 7871 32316 7961 10108 6748 10046 10936 7637 9295 4846 10783 5069 9617 19844 10167 7604 9523 9203 13651 19843 6438 19121 5796 13764 8323 9434 0 22836 7720 11932 8204 9759 11707 0 6892 6431 10006 6132 9901 7283 7997 22986 8858 16475 17867 8521 8580 3-hydroxyoctanoate 10724.6719 9345.0137 4361.2524 7906.6406 4683.0947 6076.0728 8397.6387 3927.2476 3358.2722 8429.2666 3322.5876 6973.2949 7242.7627 8320.3818 4864.6279 11511.7988 10014.9932 7272.627 8478.6777 3635.9219 7359.7119 9272.7051 7693.3418 7959.4312 6046.6182 7948.7935 12644.5498 14307.5459 10036.2061 8165.7734 8934.4697 9633.1816 16414.6582 10991.5576 9379.5889 8929.6729 7805.8491 22087.1016 8146.7563 9089.0352 6241.7788 10863.6709 16300.8262 8244.4258 8030.5527 5401.9438 15251.2627 17426.3984 14838.5879 15291.3789 9310.9268 7964.4058 9296.0137 6008.0264 7166.0566 9172.7559 5783.9844 16424.9063 7201.4771 6818.0635 15149.3096 7986.6729 9081.7002 8205.0996 8136.5303 5540.2017 8836.8525 12328.8135 14084.9863 14422.4902 6157.0376 7431.146 7024.4971 10820.5195 13718.6406 8877.7832 5823.1924 5727.8887 8146.1572 4771.2515 6693.5488 3936.2576 3246.8423 9434.1465 7317.6636 0 6692.6826 10164.1367 22299.4082 8264.042 10564.7568 5994.4004 7310.2661 11160.5322 6038.873 8390.3301 5300 5542 5265 10847 6583 6250 5915 0 4774 3956 0 4324 3986 6212 23148 3793 0 8097 9154 3627 3516 2600 19512 8156 0 7862 16651 9550 8188 9670 6231 9122 12257 6050 5078 8576 4588 9050 10296 19096 5173 3740 5035 6596 7063 9333 0 5695 0 3992 4785 8523 8194 3466 14325 6216 3851 4742 5293 7055 9279 3047 3200 5075 0 8711 6732 6146 4633 4950 9559 10851 0 0 7640 6231 8676 0 8073 0 5339 0 16878 6262 6732 0 0 3622 5702 5840 2805 6175 5752 5278 9052 4918 9660 6379 12147 16486 3-methyl-2-oxobutyrate NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 6461 4828 0 0 2060 0 0 0 0 0 0 3478 0 0 0 4871 0 0 15483 0 0 0 5343 6254 1741 0 0 22938 0 0 1476 0 0 16310 0 0 2305 0 0 3389 0 0 0 4218 0 0 0 0 0 1660 0 0 8621 0 0 0 0 0 3664 0 6086 2941 0 4778 1116 5573 0 0 1552 0 0 0 0 88187 0 0 0 0 0 4088 1729 0 0 3999 0 0 0 3740 0 4307 0 0 0 0 0 0 0 0 0 3-methyl-2-oxovalerate 0 0 5952.7202 4609.188 6055.5342 0 0 15728.5791 14498.3857 10040.9463 8397.7295 8225.5615 6746.4844 12684.6396 8765.9502 3778.6738 6999.8564 4618.502 7400.9736 9057.9033 5386.2681 4862.877 6348.2173 0 0 0 0 4203.5791 10798.5254 9380.6406 0 4657.0488 6440.0005 0 0 6125.1719 3542.7725 5382.5342 17954.4648 16745.873 13829.7129 10103.7285 8756.585 34805.5938 50703.043 0 0 6674.8965 0 0 0 0 5891.6367 0 0 75348.2266 45592.125 0 3685.2791 0 6235.8047 6455.8667 4515.6997 4468.9849 6072.3057 6591.6841 6366.1597 0 0 6329.6069 0 0 4500.3857 0 0 6390.6055 0 15618.9404 5892.9854 0 0 9413.5195 3278.2109 9515.3779 0 0 6290.9067 8065.0405 0 0 0 5080.9048 0 0 6526.4233 0 0 2499 40913 0 3471 3033 1513 3056 0 1697 2484 0 25201 4522 0 1989 40189 1512 0 44950 6753 8000 2657 3643 47489 5316 1175 1206 125082 1534 9879 4560 4375 1133 31627 1362 3462 0 3983 2942 3220 1371 1904 2993 2522 1198 0 2874 3033 2412 4508 3618 955 9317 0 3123 0 4104 4644 3182 2522 1623 12240 2654 23724 4265 23660 791 1531 0 0 1234 2298 1738 35220 3288 0 925 1894 1680 13938 6787 3228 1952 1757 1899 3320 3358 3934 2558 2940 2445 3639 2428 0 3477 8006 1737 2848 1716 4-hydroxycinnamate 93304.7969 104368.7656 139425.7656 163018 138132.3438 110546.1797 79066.2813 160259.7656 146819.1875 321616.7188 245039.4375 176518.5313 263606.0313 218061.3594 132533.7656 61598.5703 105778.2891 226828.2656 112125.3516 143373.8125 114646.4375 104131.6406 141899.6875 115246.4844 97043.875 103765.9609 133980.875 174402.6875 58263.5 129750.1172 101418.9844 276938 84084.6406 111668.375 100472.2188 173049.8594 131519.9063 304949.5938 128032.9453 86550.8438 62139.5391 112478.2969 116626.7344 344077.5938 309420.1563 104631.1875 88102.6016 131594.2969 84564.125 155282.2813 113409.9141 158198.375 268775.8125 99711.3359 94274.1094 73046.1875 85656.6484 36288.7305 67538.7734 55893.2852 87644.1172 140962.3281 52759.293 52986.8438 205997.9063 88273.6953 110617.1875 325662.9688 78829.2969 142234.1719 126250.0781 119899.7656 124553.0469 159685.1719 223745.2188 104811.0234 181545.4688 140750.125 97904.6328 150251.2344 119369.2578 119899.7656 112102.7344 505858.5938 155543.1406 43554.9297 106102.8281 125469.2813 152116.6406 49089.7656 67903.3281 94378.75 184314.9844 162093.7813 211239.4531 189695.9219 49619 48619 56869 65549 194261 165499 83393 4085 121500 69914 5351 91422 40830 31131 87030 66896 69507 67026 133083 45632 61240 177052 97716 137514 51019 86670 104695 215755 85668 473481 39270 62093 48685 45584 47088 88616 42861 81323 47962 89787 120160 66278 36734 34001 157933 17150 26590 70608 36222 77178 43067 37037 221033 111438 26177 37873 95243 42728 58092 83856 117350 66561 63239 89465 12988 89652 29548 66729 46328 79297 70370 195033 8673 22087 36863 57329 49252 58918 66729 4550 25962 104220 48456 119433 59616 14277 47493 82424 85908 167503 129674 143252 44998 79348 55621 155301 105230 132477 624599 79901 4-methyl-2-oxopentanoate 4683.9907 0 6267.8433 10765.6191 8465.3691 5558.376 6289.7456 20398.8652 17855.2793 14063.5957 21623.8184 9033.8848 5546.5029 6234.3145 13298.7412 4135.9541 9080.0947 7795.2041 4935.8545 10488.9473 8979.2275 4095.9351 10582.0928 8019.7271 5492.2671 4139.6387 0 3593.1433 5154.6543 15651.123 5436.9087 3690.0825 9507.668 0 0 0 0 5620.522 17259.002 16078.8799 12116.5 7010.8525 9028.3682 41476 34040.3672 0 3421.0068 7330.9072 0 0 0 9366.7041 8414.3828 2994.7537 5078.7705 78669.5313 27195.5039 0 7785.3857 4579.4727 6872.1851 13030.54 5177.291 0 11825.0938 10556.2119 4882.1377 8171.8784 4097.4536 4306.6602 3780.5261 0 8162.6104 0 0 7851.2847 0 17923.7207 7729.3057 5794.3506 5925.0718 14503.4268 6729.48 11728.3369 0 0 8249.6816 13688.252 4004.5803 4164.2939 0 0 0 0 6660.0493 3346.9341 2320 4795 43817 2454 4685 6667 3151 2558 2492 3138 5068 2362 18399 4286 4326 3601 80014 3449 3440 39409 5764 7052 4935 9171 68967 13683 1998 4228 104135 4264 11084 9494 5391 3648 29138 3425 7679 3444 10268 3781 6220 3467 3476 3483 1486 0 1990 5437 0 4763 7018 5736 2290 22944 2148 5679 2230 5898 7275 8560 3436 4609 18817 3672 4533 9141 55256 3043 2466 0 0 2709 3441 2714 91114 8204 1819 0 3289 2695 8960 16046 5786 3797 4130 1268 2355 6451 5208 4006 5663 1760 6267 4892 5436 3186 19079 5811 3677 3104 5-methyluridine (ribothymidine) 18321.0391 18674.4727 6834.895 10910.1152 6401.876 7697.9316 11359.2852 6060.0005 5754.1128 6416.8359 7769.0444 20633.3105 13420.5508 10147.2559 12784.7139 12658.5664 12220.1299 7479.4492 13605.7471 9674.0801 16648.6934 16982.3242 7301.0073 12296.3242 11167.5752 0 16215.957 14379.4736 6026.0977 12283.7881 5150.9717 8690.9844 7409.5605 13708.5654 16131.8545 13274.7988 14749.8662 6214.1997 12522.0898 14557.6777 9867.1387 11354.4854 17911.1738 8725.293 11878.1572 10247.1523 8101.8047 7145.5737 12220.1299 14794.0186 16558.5078 12345.1338 12562.1025 9083.79 11600.5693 12897.874 14053.082 0 3193.793 12848.7061 15282.0967 10991.3789 23576.8359 22248.2598 7348.9443 7104.5195 8624.9121 8964.2227 11674.0146 14716.5723 14173.0498 13356.4785 9630.7236 20785.043 21091.1055 14679.4141 15320.8916 27288.1855 15183.6816 10291.7568 6217.3877 6112.4961 8233.5879 15071.8604 12422.8193 19608.5859 7776.9146 15935.7822 8845.7939 11730.833 15567.2715 15370.0527 5248.2417 5998.3779 4237.0659 14613.8359 4814 11788 5078 5058 6770 3955 5811 0 11018 20048 0 3871 4787 5968 7914 7269 5463 7805 10299 5058 5018 5923 11699 7826 3970 5412 6438 14987 10600 10265 7452 2906 8521 7854 7712 3273 11649 10571 3781 2552 3187 11554 4564 9692 0 2229 6202 0 6959 3081 11341 6541 3204 2968 2526 6390 8678 7248 10304 10934 9204 4651 0 0 0 10833 5243 5392 4288 2681 6726 13018 0 0 3078 6602 5506 7722 15164 0 4301 3297 10130 5639 5780 0 0 4630 3402 3445 5663 3299 4445 6085 0 6779 14134 4803 6968 13934 5-oxoproline 6552502 9350050 3477624.25 4752361.5 7069600.5 5486194 6177879 9914349 11441050 21255150 11337253 12774477 11468600 12338490 9060635 4744844 7086117 5561919.5 6886968.5 5905829 5309165.5 3794487.25 8870015 12897741 7523749.5 5518806.5 10551998 4603419 5560734 11295019 21017294 6857525.5 9350050 13609078 13851322 9018504 10105014 12147642 5329029.5 4428257.5 2682411 4638108 11162386 1921042.875 1029706.25 11056498 3295541.75 3392217.5 13304292 12026903 13965322 20228248 21298556 10068842 10077609 5864569.5 4315809 9527554 9618347 9985382 11280644 8292651.5 9081752 10435599 11203331 4201005 8992180 20622658 13167865 10545065 4643302.5 5973333.5 4053146 20786812 17512112 15090381 6680355 1228917.75 8500299 6076960 10432157 4726880 8334485 8191341 10073132 3242275.75 8407756 12765583 20332278 22005904 11794705 16862470 17757592 21476192 14377105 11841233 5415140 7927419 2317425 8740893 8854148 1661477 6403538 1889125 19547672 11514192 260544 8975418 3147281 15810764 11636780 9760386 251070 7700147 14754139 285961 2212524 5844638 6012384 6960437 335915 7986704 26355958 12725916 1330736 12707424 2252372 3483632 8492831 8454248 519118 19879016 13842496 6062522 4184611 3267192 8305078 13754490 7222635 4561652 25235186 15284661 2558424 10254452 24192986 7824655 21854822 18841512 9067329 3676815 1927490 33665588 6215855 2574271 9444428 13055742 16063299 18204656 8864659 3689154 190722 12626973 4009949 7511326 5454409 11375693 8630418 6210958 138515 162853 5146795 8364851 7095216 17293392 10899341 572165 16020417 16434286 11486762 7289244 5299029 1762338 328666 3063770 2482906 10035625 23289412 12842673 9097230 5486349 7640770 6011773 4339877 7700147 11753971 10016135 8-hydroxyoctanoate 13879.9951 6991.1978 10048.9131 8371.8867 9776.6563 6846.8931 10449.4727 13191.333 11830.6201 16116.042 16126.7471 13763.0459 6014.0029 6582.2983 9613.5479 11648.7441 8842.5 8420.0664 9078.8701 9129.6953 11255.2451 22990.0957 8584.5908 10466.3809 4974.1021 4370.271 8833.2373 5403.5591 9113.459 8244.3027 16744.5098 25126.0059 7984.9775 19039.7891 23715.8457 5032.1035 11167.2256 16944.6504 12047.4736 8810.4385 8042.7891 13750.0029 24391.3359 15742.7432 17260.8223 8488.6846 5898.2803 11356.9531 23361.4629 11148.8477 5576.1704 0 6165.7373 4685.7012 6148.793 5608.7871 7701.8628 11424.6592 16136.2148 4626.2539 10113.0645 10658.1396 9247.8848 8934.1641 13346.4414 16189.9502 15299.502 12338.1592 13465.7656 14706.4854 16872.1797 10113.0645 14110.8447 9078.0225 10730.2305 13511.5684 11269.0049 21470.7793 7345.3657 7341.9087 8810.084 7687.6382 10150.5654 6358.2451 8707.998 2825.3738 5305.3525 0 14155.7861 8137.2656 13789.9697 24159.1211 3439.4136 10371.6875 5169.0962 10734.4404 3423 3565 0 7733 3243 9357 0 0 5304 4404 0 0 0 6381 4196 3353 0 4972 5179 6167 8892 4665 8771 2678 1974 6294 3080 5213 3006 7126 6851 0 20461 3620 2728 2707 4922 2651 0 41074 5518 8855 3080 13910 4363 5208 0 2504 2836 5315 0 4843 8160 5646 10982 13225 4434 2443 0 3780 5663 5972 0 3368 0 7027 0 0 4725 4779 6220 5578 0 0 2930 4272 0 0 3095 0 6562 7112 5001 10239 2988 0 1981 0 2155 5309 2748 6243 0 0 3865 3802 8766 4235 10303 2640 9,10-DiHOME 844126.5 138501.0469 438493.6563 257492.3594 203427.4688 150775.3125 142161.3281 214409.7656 242714.8906 141707.1563 247989.9375 97852.3359 98292.0313 127593.0547 364423.125 361742.875 324065.3438 148864.9688 209653.6563 202095.4688 205468.8281 231509.5625 203776.3906 129838.1641 109865.2891 170350.1406 203695.9688 256856.5 348409.0625 203158.9844 397803.3438 293578.4063 468673.875 365623.1563 203427.4688 130914.1797 389765.4688 385771.6563 160318.8594 193123.5156 72076.9609 112572.3672 196912.0625 306510.8438 418264.0313 983920.25 314152.9375 393841.2188 357221.2813 102693.6016 109287.4063 39278.5938 187031.8594 71708.6641 118214.3828 334067.0625 224094.0625 147146.8438 314684.25 120410.4297 186082.1875 80069.3594 201323.4375 114008.1797 96466.4453 222749.9375 317539.9688 76209.7109 211573.6719 264285.0938 387245.375 290912 169952.9844 310430.6563 404045.5938 198028.0469 125105.6641 590859.6875 409899.5938 188187.4375 208297.6094 100950.8125 145191.9688 86400.6641 57162.1172 880136.125 83994.625 69639.2266 606933 557165.25 633522.3125 156203.0625 93837.9297 273687.3438 167765.2188 122772.8203 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL abscisate 88505.375 60118.8672 92434.7656 42986.5352 28695.2266 132358.7656 137235.5781 177329.7031 105944.75 75645.1172 81225.8125 75557.0547 171962.7969 157834.8281 103490.7578 40127.1289 41941.1406 23984.7031 27754.9766 17244.7305 105586.9063 62993.9922 32106.1699 53525.5273 65739.7344 89814.3125 46334.3281 33378.1484 23212.2734 34048.1445 61577.8906 81875.2188 57828.1563 46639.1367 21337.4043 35273.6367 18608.4824 15074.7842 59790.7461 37320.5078 76469.8125 46787.7031 26987.6191 67602.4688 56370.957 147074.2656 34634.3438 39939.332 37529.0977 64030.5703 22756.9258 40487.9063 78655.3203 67535.8359 60119.2773 45068.6953 71026.8047 48046.0039 73297.4063 76128.8203 54681.6602 31164.6348 55865.5703 66116.2891 57828.1563 60152.1602 40303.2617 55096.7891 89586.2734 78471.5859 27619.3633 33614.0898 38613.7422 68930.25 74336.7578 34972.9141 75750.1484 46196.0078 136321.6719 83978.1328 246306.4531 53381.7188 109973.6484 71070.0469 47521.5547 9378.752 70803.0625 194814.9219 38530.6797 37870.1992 385574.875 55759.6172 47073.6992 91462.1875 38732.8242 125877.2031 109402 187377 30011 61703 63234 29000 23253 39730 280487 33000 26208 71862 38975 18398 71706 93502 101079 31968 86527 346878 35538 41495 99104 31406 74462 35598 24278 20261 31111 35538 24083 25807 132512 28877 233591 36976 13771 25660 29000 22351 26214 85814 5675 21852 34801 43952 21187 36681 6990 26540 32598 30171 29939 68747 39572 0 39766 52716 43516 62964 4529 117904 41743 21919 23850 12851 44677 18888 108043 88983 81725 41158 73167 51807 51120 273283 59777 99043 27995 7708 18138 20473 18131 13964 34848 7433 13924 12890 36125 131573 77296 37869 35538 70106 57713 35320 24967 32723 26234 27673 alpha-hydroxyisocaproate 30919.3711 30552.4902 46611.9141 34998.3477 48785.9609 84552.5547 47767.8242 41557.2461 49122.75 41002.918 58464.7461 49174.8047 68955.0391 86220.1484 91045.3047 55905.6484 60395.7227 37845.5117 29261.9043 43708.7344 88010.7656 48963.9883 73759.4375 53887.8984 49107.8555 46448.6523 57228.9688 53936.7969 27760.1563 49205.3125 26141.8477 25594.7324 41070.6602 10902.2832 14714.6172 23364.2871 27763.334 29192.5664 94482.4922 97759.625 72250.3984 53791.7383 69927.125 25639.4707 84148.5234 10973.8535 22520.4961 24083.6582 31522.1973 94153.8047 89300.9141 77170.3359 66506.7813 44084.3516 33166.5313 64895.5586 58219.2383 36958.3516 48485.4609 37194.1211 48151.1953 54785.6914 77455.5313 61328.2383 66364.7109 33636.2109 54586.5859 43708.543 92480.7109 102808.3281 40408.2461 31217.9141 53050.7891 35871.0391 72459.6719 83174.9141 43314.75 58503.9688 43629.3711 43538.0313 43423.8711 51356.0781 33879.8516 65907.0547 55260.6367 0 49035.9219 75207.6797 48949.0938 43470.125 41985.2852 62064.8711 101041.0859 273375.9688 46131.3398 104349.5781 26163 8434 26163 18466 127587 46517 10560 0 11290 48934 0 7808 68799 29730 25217 10535 6606 26762 34878 36108 9724 62288 23734 19098 7927 41891 22577 47501 315329 22788 41309 11957 21449 24591 33153 21735 37096 33042 11977 49944 33327 4633 9218 28030 23663 20686 17183 47353 42614 28157 23882 16159 107863 67854 511785 24934 28711 22622 40856 26836 24235 37924 5824 10974 0 74390 72046 27942 7981 23176 14500 29429 0 0 56192 25490 19413 8933 26406 0 256133 68819 30692 18671 14671 0 0 20147 10094 45852 49734 34658 6229 7401 15269 9962 65358 32741 49702 52790 alpha-hydroxyisovalerate 32990.1094 76221.7734 24865.6113 59400.7266 35903.6016 81422.9609 76570.4766 31048.1895 20126.25 26831.3867 40889.9063 31875.3008 73546.9609 61467.7773 56417.6875 25678.5684 30185.5 23891.0625 24011.6035 17659.3828 26722.5488 18967.6445 20699.5273 48342.6367 31578.7676 22341.4492 46419.6797 99720.5 39855.1523 169389.9375 113928.2188 28839.5039 20785.2793 18513.752 16577.668 23398.0352 29887.9844 15552.6074 28402.6211 33187.6797 29372.6133 31875.3008 46589.2266 16309.4502 41820.3594 23351.2695 20884.5781 18310.5879 31287.3633 56943.7305 57615.8789 53928.2031 52162.0039 32463.2383 34952.375 26575.1191 30355.5293 59485.5977 29201.6445 28207.6602 47508.1875 25671.6035 53266.8281 64439.1758 30216.7852 17554.9375 22987.2207 27147.8672 112188.4844 90715.0313 19692.3398 27358.582 56358.4258 41719.9844 51070.625 46967.7461 15106.7207 34283.4727 28918.9766 28605.3672 24262.9668 33193.0352 20078.9922 50109.8008 30732.5586 8416.4883 50527.0742 58985.8516 76736.2656 48519.0508 43655.0938 70549.3359 153419.0625 349651.9688 19583.6973 77308.5859 20247 7023 31337 17364 128222 26393 17388 0 13421 27303 0 3809 112999 39235 17481 6482 0 8267 32658 15513 4849 10427 14633 10920 3532 22106 40914 27119 347295 14147 25669 3794 19271 24363 15183 35061 18388 22161 5567 13311 16683 4641 4405 15256 81440 23325 43926 29481 100388 18588 31192 35955 66216 57871 329964 47230 51647 5872 71958 14745 40331 22098 2496 6552 0 34464 124817 17804 5564 12249 13296 52127 0 0 97916 14170 32554 23005 18412 0 106168 43743 18396 11187 11017 0 0 11347 7124 43292 23655 29596 2624 1904 21066 3790 46129 11342 28245 26077 apigenin 3618.3623 0 0 0 0 0 0 0 5174.0449 11454.0791 2526.9297 33735.9531 0 6585.7271 7003.895 0 0 13934.0107 10111.1611 4167.7725 3306.616 8054.9409 8783.9258 0 0 3744.6021 0 0 0 0 0 0 9156.5225 0 3017.8091 41073.5234 7731.4385 43476.4023 11037.6152 19613.084 13703.2529 26489.4648 9791.4297 13906.2188 27309.5137 11604.0459 0 9791.4297 0 0 0 0 0 8545.2441 28565.543 0 0 0 5830.7251 0 14843.8652 22268.0781 0 0 0 3895.0549 9679.1387 0 0 5737.7129 5597.6079 48282.5508 30685.8379 5520.5166 3213.5027 3996.6733 174073.1406 4356.2295 34798.0039 31074.7715 14892.3496 15544.6367 9222.3691 0 4844.9458 11812.7813 12143.4375 0 0 30478.3223 0 0 0 0 0 8086.3364 0 0 0 0 0 11218 0 0 0 0 0 0 0 0 7395 0 0 4002 0 0 0 0 0 0 0 0 0 5430 8146 0 0 0 5006 0 0 0 0 0 0 38864 0 0 0 0 0 0 0 0 0 4218 0 0 0 0 0 0 0 0 0 1886 0 0 0 0 0 0 0 0 0 5291 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2096 0 0 0 0 8764 0 0 0 0 0 5854 0 0 0 0 beta-hydroxyisovalerate 22900.9316 27164.4297 13378.6797 19143.0801 31700.4023 17482.4883 16202.6191 30413.1348 20182.2813 34639.9805 35212.2031 18960.1055 42311.8828 37748.4375 54890.4453 12441.3418 22769.1523 22390.3398 20245.752 26977.0313 36003.6172 20657.418 29104.4277 56668.3828 43109.7109 22848.0488 89725.1328 53604.9219 29753.3457 26525.3008 26977.0313 12478.209 35704.6211 40043.8203 23425.7656 32827.0547 25161.7598 20637.8047 25048.498 25598.0762 8370.1328 16727.1738 15260.0957 17569.6914 19921.3242 14541.7354 18242.5156 24246.2969 27428.7617 51340.2266 33773.1328 30899.4648 25216.2383 20340.6094 15375.8174 8308.167 10715.5859 36253.9609 38122.1641 28699.1367 41115.4961 24344.3672 55622.75 49024.9219 27219.8809 30199.582 31203.3379 15458.3076 56331.0391 53150.8945 16953.0273 27397.1621 47987.1875 61434.5664 59359.1563 61384.1328 17133.0918 78108.3047 18128.8555 28185.2266 23840.4316 26632.5664 16644.7031 39293.3633 19273.0898 11055.4941 28466.0566 56222.0586 30633.3984 14127.8486 18401.166 8340.1152 33849.8438 43843.6211 11743.3945 77135.2031 13684 9546 7826 11897 6681 5481 1954 9949 7097 6851 0 3251 7058 12473 8404 2803 4169 20122 20437 11084 8664 10760 13789 19629 7151 9914 10315 8975 4392 8437 5060 0 6976 6020 12116 29343 37330 0 1438 17645 30115 21546 4571 3228 21817 6107 2791 2571 6898 3053 0 0 5129 13520 3207 6945 3560 6565 6544 8270 9987 12050 2784 2108 0 23807 6681 3912 2399 7469 5982 2640 0 0 3063 5344 6372 12926 16491 0 1536 12180 11479 8661 6279 0 1951 3082 5574 10881 6805 11391 2095 3238 6820 2859 3870 4124 7914 0 caproate (6:0) 52395.9102 24532.002 44175.5625 32041.1504 25403.7461 23856.3301 26997.2617 18634.748 26590.3086 20559.3477 22881.6113 26035.2637 26706.4043 29555.9023 37418.8438 38005.9844 35473.7695 21237.3223 24239.8672 23564.0547 19024.0332 27002.123 7275.958 12411.084 0 20858.6465 32979.8828 20311.5137 17350.7441 28842.752 31807.1875 23918.0352 25081.2676 16750.0078 16621.0137 19929.8398 19457.0879 15233.5762 30254.7168 17816.5898 17824.834 25106.8262 17762.4844 17485.1113 29110.5371 25832.127 12543.5518 17497.5859 21948.5332 29713.6152 24415.5918 21680.6133 24437.0742 23907.0977 19903.4746 25666.8457 16127.2686 21211.8613 16431.8457 18773.3691 15900.4443 23173.8848 24550.5918 31848.2305 15015.3535 9994.8271 14449.3555 16551.8398 35141.7461 51162.6367 27774.8496 22242.3965 21321.0684 30182.7793 40552.8633 13176.0684 0 32883.5781 14990.8789 40563.0938 29026.918 23368.9707 22756.7949 27647.2324 25402.6348 9633.4902 20784.8086 18682.7324 25138.0898 19072.9668 0 6472.6694 12514.5557 20569.5625 27350.2832 35138.5742 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL caprylate (8:0) 54459.8516 60075.3633 90955.875 65452.0586 44060.6875 45680.9844 59819.8477 47981.2695 34507.1484 24677.3203 43618.5234 35041.1719 52581.7383 56926.7148 75437.4531 38601.3438 43800.7461 33932.7852 26862.166 67571.1484 66758.3438 57014.6055 19719.8613 35069.7891 31811.4258 39983.6328 36234.1367 26346.8164 23973.1074 35813.6094 59833.625 30774.1113 21864.7344 39378.3789 17041.1152 32286.293 22268.4922 23148.043 50309.7969 43418.1797 32995.1016 30096.3418 31953.8047 25852.0371 25727.5117 29675.5859 42837.5469 23567.4336 61065.5 58920.6094 51169.375 47546.2656 38989.8594 26190.6934 43605.7461 45517.5625 16484.9785 31966.3926 48701.3438 17159.3164 29289.5449 38791.6719 33717.6289 41699.9727 29621.5566 55376.2109 29137.918 21582.0273 41570.3164 55498.6406 39698.4648 41713.8438 50483.6953 63826.3945 80883.9375 46057.1055 27747.4766 71407.75 23859.0527 69132.7422 49823.9336 49616.6836 29682.7715 34695.8906 37911.2852 14803.7979 54990.8867 12930.002 38174.4766 0 26261.5059 16290.332 38281.2578 44970.6797 45866.9805 59898.1328 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL chrysoeriol 36841.9141 33821.3125 41814.9219 77398.5781 41881.4648 65532.8789 39720.5469 6822.3853 69750.7422 52493.4063 49297.1719 388082.875 74850.875 111832.9141 491495.625 8581.5703 8522.3359 191522.5 52633.3867 188216.2031 492901.9375 217236.25 61349.5117 55777.7031 20500.1113 18398.0039 83017.4844 70217.9453 41948.0078 19345.2891 6939.0693 13566.125 120788.7422 23277.5293 18442.707 35752.7344 27777.123 490313.6563 106664.875 24666.4727 68054.2813 443843.1563 175058.8594 37368.6328 670795.9375 478631.4375 14049.5244 71753.2969 33272.1133 10141.9727 8453.7363 15812.7422 116801.1953 21531.5117 72042.0156 24696.7012 18494.9023 12302.9443 247464.7656 20910.0742 13617.2646 29332.8496 52340.3125 33913.1914 20653.2754 20920.0879 120143.7188 4415.748 15640.6602 46944.0625 44448.8516 957785.8125 114922.3516 40017.0742 65055.1875 152981.2656 861683 361550.875 14351.1504 35080.0156 35069.5195 31246.459 48515.6602 22148.6621 10600.833 47964.9609 32155.1367 6623.4751 11214.9453 93258.2969 41881.4648 62005.8789 81926.9922 32951.7891 16008.7402 73351.3984 26344 463827 622360 122401 8048 63583 4137 0 38920 6638 0 17367 435649 473134 161960 430930 19827 14389 202813 31114 4496 13393 130283 9580 11720 19165 18579 678888 2909933 64424 33160 13725 45837 88423 117237 125294 19612 47083 10999 220610 17098 617785 13251 5912 20846 37542 19800 117774 6251 94678 8655 10330 99452 11597 36803 43179 31807 11561 6583 61123 84972 18622 9880 95525 26856 38994 317259 4692482 28985 63106 26076 19888 13522 8335 54945 31793 5604 26177 13986 0 481650 19493 5545 41919 1804559 6141 3921 32080 162882 437551 22825 15826 15946 5735 5074 1284956 61848 21006 97492 2979 cinnamate 16458.2988 9361.3516 73798.5078 77384.4531 112335.2891 25622.2461 7348.5347 49000.6875 30535.5508 148279.0313 177991.9063 68770.1484 44603.0039 93717.1641 67630.2813 25357.9395 26284.5898 44130.9609 9260.6191 53297.4961 12631.7783 7498.0376 91815.7969 36366.2305 27942.6875 51497.9922 19401.9258 0 3641.6494 14829.0576 23774.5508 9250.5664 127560.7344 8766.916 5079.8413 42271.0508 9248.8916 61529.9492 20228.7949 18555.4219 4675.9595 9411.3604 0 183819.6719 98354.4688 0 0 15596.4961 0 13134.6328 10541.9004 29665.4883 61488.9063 63123.4609 20949.0137 10140.0908 17178.2441 0 24701.2012 0 6131.0161 29644.4102 6512.9194 8539.4443 82993.9453 43922.5352 65514.9023 27882.4395 0 13754.0557 0 0 43409.9609 16691.9688 23050.3047 18264.2578 0 0 9680.9561 37336.5078 62791.0664 28760.2695 19158.3555 104208.7109 20862.0391 0 85363.8906 6260.3374 0 0 0 4861.4326 18753.3164 0 25029.5703 14654.0947 9569 0 3321 3435 25652 159059 26541 0 7692 26460 5899 3924 5084 3485 11370 12428 0 9569 7064 57348 39709 50484 31414 18579 13958 18766 2328 6313 15596 80521 3900 11333 0 0 77757 0 6924 8084 7894 5863 133165 9615 9184 7335 9196 7851 0 181847 0 144174 7638 8153 76247 42691 0 5057 4639 5670 5533 9569 14835 18393 7229 19030 0 12249 4382 5510 0 38809 26948 28921 0 0 5619 62298 3408 0 4104 2900 15770 135283 17848 28759 7218 0 0 0 13731 17397 7146 5958 4279 3775 3570 5513 9382 10274 113660 10259 citrate 22507988 18775650 7301585.5 7864504.5 8790923 6975644 11926955 5709521 6322626 11319121 2001258.375 10140129 11790077 13924552 9968721 21564998 28579526 8221051.5 8844255 6187929.5 8948410 10153974 5185148.5 10731283 6925096.5 11442634 16878300 13085661 20135158 35517548 25005820 26626408 11309723 15965396 17988856 13126099 7268632.5 16840412 16463860 18893358 13986218 12799698 21003806 10730638 8775489 18959340 27187320 22024952 20144772 25958926 12458088 15022254 16364969 10875653 9946850 18468518 15746255 20166242 5438328.5 18191364 8629842 7846611.5 9266910 9754761 10560481 17115220 9785126 11416755 7535373 18212224 12458088 7915190.5 10786595 16166579 13687614 17525286 7598654 7654118 9450928 7735280.5 13073523 13829045 10175359 9475467 20387608 9543502 14699392 22001734 15531123 26461138 20301152 26699194 11601811 8452465 15134653 14715396 6533142 7318304 5321487 6049707 8757115 5111460 10432526 7575697 13169163 6100622 3228819 12215327 9523858 9426552 8271939 6823407 4159397 4686293 6800183 3565609 6096197 4061923 8023164 18084292 5950932 8737178 6979769 12359096 5085745 15498576 9385015 10081547 16940584 9883181 5158242 7640908 7157175 11462784 9214549 6048928 15105339 7040072 6914237 13261838 6864633 14226450 3889326 5509697 7356706 4318176 9015259 3593427 8395227 10777020 1163561 5634183 6691890 7356706 6797167 18103120 9112859 14187745 7224363 2342163 5273539 12135170 7389096 8064133 10593449 9370972 8299736 18640034 3915140 2811728 2627725 5651108 17474650 18260982 14528624 3230850 1099874 6089770 9018146 5344666 6246756 4579658 5317308 1311485 1303438 7673340 8462546 12753032 7251241 7395740 13946886 6893066 10919478 10591884 10162286 9758861 cytosine-2,3-cyclic monophosphate 0 6979.4243 4526.3066 6963.9785 0 5153.6592 20871.1777 0 0 0 13766.168 7883.9717 0 0 15912.1035 11795.8896 37495.6563 0 3901.4363 0 4030.2627 15963.0625 0 0 0 12061.2568 12005.1338 0 9685.3535 0 2553.3982 9431.4951 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14126.3213 12922.8457 7912.7129 0 3591.499 0 14577.2637 4995.8545 23655.0801 0 11795.8896 15959.1689 7122.7773 8976.3242 14670.1699 0 0 0 0 28382.1523 29238.9375 26787.2188 12751.3506 0 32931.3359 13346.542 2805.5576 10730.1543 3724.0361 17461.0508 6612.7148 1868.502 0 0 4200.7383 22967.2715 0 0 20682.7754 9790.7832 0 0 0 11795.8896 2669.303 0 17139.0156 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL dihomo-linoleate (20:2n6) 214989 114806.3516 192422.8281 218774.0938 194930.5469 125297.2188 81969.0313 140797.9063 256715.2031 476765.25 180146.7344 92049.2578 138495.0781 105033.8281 142739.2344 103301.2656 144245.7031 161207.7969 101643.3516 107736.6953 326543.0938 344086.625 510510.375 386816.375 169846.0156 164776.1563 87003.5156 94455.1328 149644.1719 118370.2031 69934.6719 169344.3125 340652.4688 590534.25 455839.9375 86817.3359 151757.6094 672015.5625 104468.8438 70013.2031 117801.5469 127968.5859 274906.75 269678.4688 368918.4063 95747.1875 67761.1094 99844.9531 152134.0469 93937.0703 42399.832 107903.5547 339950.9688 141855.5313 126732.9531 53471.0742 34145.4375 69971.9375 97022.5859 85497.9688 178169.125 135458.9688 110401.6016 65751.4375 259527.7656 95371.6797 182382.2656 867901.125 923747.3125 480319.2813 100035.25 73764.6719 104651.9141 257654.2813 197716.9531 365489.6563 194247.1719 145749.8438 198123.2031 189798.7031 231015.4531 145749.8438 131294.3594 383790 63574.0859 326016.8438 124972.3672 83385.3359 373269.0625 295150.0625 270257.0625 142264.5938 104969.8359 219612.9063 157341.0469 181581.8281 73826 40460 20366 53163 174569 189966 48843 6371 99287 151271 7563 63716 49673 85539 149651 26349 15547 20454 95712 56689 29464 275987 248081 117043 67059 108907 196692 151778 89759 313642 51603 61880 131014 38047 139517 55913 72675 82526 63917 82325 69221 81738 28995 23011 136246 86681 33826 57182 107821 57099 68656 64896 57159 63777 103749 48873 53411 46448 42841 173001 118654 29275 54344 75696 8760 130215 22862 40533 50140 79517 142221 111697 9185 12469 31549 71897 119433 51298 36894 5952 67059 155705 180724 54597 80421 6546 11156 31012 43182 224788 116975 167760 61704 93508 97077 121679 55856 137191 88140 118139 dihomo-linolenate (20:3n3 or n6) 27226.0781 12290.6631 20771.5684 40849.0078 23549.1035 10764.3066 14021.4424 20131.5957 10572.6777 55714.8906 57465.2383 25482.4102 27561.4824 0 32873.9805 0 21222.959 31690.5996 12459.7314 15740.2227 61961.3008 35962.0352 57747.7227 55681.6406 16587.6953 35809.7734 32835.8203 0 17212.8535 21359.2285 9650.0518 30860.0098 37849.6094 88545.125 44903.3086 24480.5645 33658.1094 40476.5859 25335.1738 0 12493.917 28654.9434 57025.0625 34295.4219 31204.2207 0 15148.8574 0 23805.5762 23545.3652 10191.7275 0 43079.9688 12607.7656 25482.4102 13563.335 13070.9639 22312.6504 0 7324.8828 25629.6504 19110.8926 24714.3789 0 65959.1875 9164.6631 13812.7744 89515.2266 51306.3047 42621.6289 0 15664.7168 26614.7969 34820.582 31394.4531 41109.7422 27479.8848 14914.2861 19254.2441 27983.5859 16044.7734 12881.543 15074.5645 38936.7383 9935.5039 64779.7617 0 0 39064.4648 38292.5977 20395.3281 35598.793 15076.6299 40639.8203 11962.0469 21645.8359 14907 16606 4996 12287 20629 25905 16305 0 12917 54763 3717 16057 10184 6557 45537 13173 5226 16515 29425 14460 4500 40420 32076 28585 11694 17825 11627 29273 34429 55610 8309 6287 16716 12385 34050 10077 14582 11250 12271 18273 6260 42278 14189 1641 20831 21998 12387 7003 14780 4669 16107 13670 20616 6994 16812 7592 23360 9716 19610 41582 19490 14221 9946 26669 2132 20912 8930 16184 7399 30222 14049 35034 1543 0 9775 8913 19764 14663 4802 1426 9091 34030 16077 10499 32321 0 0 0 6126 32282 28358 52552 18169 19143 28293 18054 29640 31128 10414 15482 dihydroferulic acid 3769.4749 3631.9246 0 18298.9277 15297.1006 0 0 5040.8638 5240.397 6471.4058 5288.3306 7190.022 4545.5073 3043.3545 4741.3359 7817.7466 11006.3877 13558.7451 8949.8584 16884.0176 5905.8394 14161.8037 11783.9395 8395.2637 5839.2217 12925.998 6619.7202 8053.9111 0 10565.0361 0 0 13377.9541 4744.7358 4315.9644 9685.9883 7276.6343 5315.8491 6686.873 0 4712.8135 18600.7207 3342.0493 11939.5576 10263.6367 4535.4971 5278.6763 4857.1069 7663.6885 6345.3887 3530.23 4822.6865 4218.4087 23455.9824 4972.1968 0 0 0 0 0 5995.3696 5649.4824 3607.1985 3857.772 6619.7202 0 3509.5635 6554.5386 5758.6201 19437.8359 8245.6523 4339.3564 12463.4473 18164.877 6619.7202 7168.1885 8110.3403 10276.6758 3584.031 7066.5522 10627.8936 15032.5938 14456.9639 13535.9316 2290.0586 4592.7954 5303.3291 7429.9634 6192.0234 5715.75 8615.3398 6388.3608 11901.7275 11326.9238 4581.5977 6978.5127 6561 4106 10680 7803 10255 9871 14180 1691 4479 2290 0 1508 10669 5850 15866 4415 3099 6018 6678 6931 5132 10736 5908 7572 2403 3307 5631 6925 11676 6491 6849 4513 1254 6533 7015 4811 2889 2866 5181 28232 7416 5882 2202 2079 6907 1649 0 5740 1295 5588 8485 3729 11752 7543 9895 3746 3982 12389 2071 3611 5353 4256 1477 8515 0 5886 5545 4050 2830 3817 4051 10695 0 1962 3386 6427 10380 2693 5076 0 3891 7682 8693 3252 7526 0 0 6044 7942 7614 2036 4657 1722 2208 7200 3486 11449 5385 13973 5294 dihydroquercetin 394418.0313 181757.2656 0 0 0 0 0 0 0 0 0 5857.2246 0 0 0 0 0 0 0 0 0 9933.2979 0 10475.1465 0 0 0 0 6742.6504 5192.0425 7344.8472 0 0 0 0 11717.5059 2546.73 0 0 0 0 2360.1956 5240.1074 0 0 0 0 0 3690.1797 0 0 0 0 3247.8613 0 0 0 0 0 0 17325.623 0 0 0 0 0 0 5690.0161 0 0 0 21225.0859 0 2306.4773 6742.6504 0 0 0 6030.6665 0 0 0 0 0 0 89106.375 0 0 6017.9043 6140.4526 9227.3037 14502.5244 0 0 0 7307.9287 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL docosadienoate (22:2n6) 8433.3213 5474.0244 10570.3672 0 0 8757.9844 0 0 13673.2559 13405.4746 12189.3633 8644.4326 0 6190.8989 0 6939.8081 14658.0098 9359.748 6594.5977 0 16866.002 18156.2637 14644.54 10841.8711 11333.0684 11823.0381 0 7131.8198 8295.2451 5040.5596 9571.5381 0 10999.4209 13509.3037 6097.9829 8110.6348 10865.0322 9476.8008 0 11944.8945 11098.8828 8534.2285 0 8446.1748 0 0 8280.9297 7589.3599 0 13454.4141 8280.3008 0 11775.1045 9099.3652 5231.6123 0 0 0 0 8386.6963 8888.6182 0 7915.7031 8654.4902 16581.6367 7603.8838 10787.4795 8995.2305 20779.5137 10482.4873 0 8120.3232 0 8059.0229 5517.0737 21821.5684 16709.4375 14517.1455 8438.3945 8825.1777 9165.2822 9346.0273 14928.7549 12335.6904 7028.3564 7584.9214 8342.1797 5649.4307 4776.1152 6667.8501 5923.6489 0 0 11521.1299 0 10090.3867 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL eicosenoate (20:1n9 or 11) 564594.875 419179 957535.5625 577953.25 532949.625 846869.75 342550.8438 1359728.5 1059075 1967546.75 2006032.125 992625.125 1501219.625 986843.3125 1181199 1120217.375 1396944.125 578396.9375 443871.6563 919872.375 2413838 2124107 8630740 2598496.75 1045458.25 610831.625 981125.125 658935.875 1355294.625 447341.875 265188.1875 586467.3125 1547580.625 1919372.75 2660692 1418247.875 2677532.5 7634434.5 870417.5625 741265.9375 323439 494695.7188 2481139.25 2609852 2858334 240939.8281 1109729.875 1318322.75 1167093.75 638394.8125 249196.9375 1105861.5 2351667 601791.5625 992625.125 184599.5156 174967.8125 1443714.5 1746300.125 825158.0625 1004125.1875 750121.875 1049896.5 702759.0625 1832429.875 1029518.8125 2137024.5 8085164 2239190.75 1463963.625 870438.875 708122.6875 346012.375 961335.5625 664232.25 2627623.5 787898.625 616240.3125 636277.3125 800824.375 1214284.375 516188.25 517819.25 2948308.5 236700.9531 996253.625 749080 691904.375 1836613.875 829984.3125 688603.6875 2749187.75 1094550.625 1737611.625 2138764.5 878212.1875 292385 244559 226372 75313 1974758 437296 36025 14220 316412 316518 14880 337756 445792 442578 1339228 61354 36723 76113 1233875 816962 95829 1464792 2255752 586438 54071 748452 306554 678199 1294390 668236 76581 173017 209287 119171 295418 307546 336508 107188 192235 748869 714409 744170 64526 284536 595999 377827 75832 185440 280985 203546 743923 268021 292385 501959 288601 377605 149753 267564 186408 1021492 392775 1021750 136860 348194 18263 762577 73972 182023 171316 913567 366779 632157 13136 21560 136940 222597 101559 63491 107647 23515 436509 750270 588452 384667 296169 30482 20475 130940 176081 3561675 2511547 4080789 159723 414423 70534 930070 413503 2127429 224886 190146 ferulate 177502.9688 267024.625 1422556.375 1572458.5 874011.5625 259351.875 407356.9688 489419.0625 290820.3125 1377426.375 951960.3125 1992935.75 421522.4063 406710.7813 568430.375 632192.5 859219.5625 936507.125 572226.875 2171292.5 567185.6875 1325409.5 591888.9375 242647.9219 246055.5469 491599.5313 447915.0313 704258.5 92036.0781 535236.1875 258467.5781 130548.7109 1409265.25 347555.3125 812450.875 1298412.625 1130074.375 153750.1406 313014.5 47948.4453 181166.8906 241137.2188 78421.25 583012 213763.5156 188516.3281 250265.8281 190206.8594 812029.4375 873617.8125 525648.75 505620.4063 505620.4063 974715.1875 212983.7031 213906.2813 234439.8125 68113.5234 70427.6016 178509.5 984838.75 1051288.75 316536.25 325349.625 772551.625 159168.1875 76605.4844 1096212 499602.8125 1132335.375 462389.75 147879.4219 682776.25 2656885 888393.5 400200.25 974122.5625 312163.375 575046.625 1012664.75 1033151.875 1677086.125 1424814.75 2794567.5 577635.25 35622.4609 386207.875 825141.75 307710.875 158137.0781 398961.0313 303213.4688 579410.25 553530.625 833232.9375 519641.1875 488750 284014 1278430 179008 1065553 804263 937226 35972 878893 424355 119884 993044 913407 213684 515239 373666 81487 309005 1049417 39940 279447 1108331 170595 1314340 135999 1173899 509956 387188 2315104 1615342 279988 628008 109985 243152 227005 665424 410492 606996 598595 232740 1048268 333936 177720 192320 399011 125144 159347 185670 103982 201674 198257 438720 2718996 445529 309773 95649 367248 625656 396027 596997 215933 156374 844554 653585 23408 340342 399011 692974 170232 581959 223185 943127 24759 16521 127171 575207 756760 340782 1480302 59223 281857 467744 834584 2683671 360705 63900 222888 595500 366389 258633 325144 534597 719795 1119905 709031 1305080 774877 2340200 1281612 1283520 heptanoate (7:0) 14692.9063 8391.3047 12369.8604 6882.5249 0 5271.9263 13761.2451 6063.2119 8487.8682 7781.6011 3858.0818 7573.4531 5185.6284 10370.7588 12372.6924 7201.814 8016.7266 6042.3081 4514.585 9421.9189 5665.9907 6867.9536 4135.8643 5214.5454 5015.6113 5167.4551 6968.8501 7676.2349 7794.7617 0 7130.4194 6493.4785 5291.9424 8406.7529 0 7842.5645 6764.1108 6701.1772 4596.1045 14059.7168 10430.0166 6071.7041 6458.104 7181.1138 7634.835 11173.4346 13174.6289 7395.1279 7634.835 9651.7686 15972.5586 6967.6836 8274.71 6564.708 10736.3057 18363.0605 9745.6729 7233.4409 7950.5146 6996.623 6004.5449 7191.6509 9582.3682 14622.999 7593.4346 10070.002 6491.2729 3674.4944 8101.8003 19050.4551 10282.084 5596.854 8489.1172 11732.5586 13927.1943 9738.6035 0 12385.6465 7137.6641 8122.7183 8975.2871 10318.9434 6677.9307 7823.9839 7113.3545 0 6356.3989 6615.5557 12595.0518 0 0 0 7896.3301 3638.3074 6839.4292 23716.0078 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL hippurate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 206054.0156 0 0 0 0 0 0 0 0 0 0 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL histidine 33474.9375 29295.4785 0 0 0 11926.4893 0 20986.3164 43398.9805 0 0 0 45905.3555 25641.9727 0 0 0 0 0 0 0 37654.3945 0 0 0 0 0 15792.543 19335.2832 0 45230.7422 9506.4287 0 15613.2139 13081.1797 0 0 0 0 0 0 0 0 0 0 315550 27419.5645 16617.707 43848.9961 0 0 0 0 25696.7559 10868.1816 48821.4961 62975.3242 33474.9375 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 82269.5 125160.9531 0 0 0 0 0 0 0 0 0 0 19137.0566 0 0 30802.916 55110.7266 231852.9063 42700.1328 139580.0625 194202.4531 29180.3027 172275.5938 238147 267832 426629 178729 229413 75103 369697 349419 15912 391516 257799 182779 330088 0 140395 123649 655376 161871 183925 55349 13461 0 7039 61057 665737 9550 129004 120038 46540 54176 4111 313722 9695 182779 118440 135383 6057 229559 278007 0 3100 279406 224468 7583 104770 258464 251688 292216 19974 278103 138502 162595 194739 0 446702 0 188775 391283 9500 6944 0 4696 502093 299362 1057158 0 368220 427168 85451 148236 234214 96609 578432 935132 184025 434304 162245 568091 98867 164401 508369 7646 0 10119 285466 615923 556820 860386 413286 27766 63533 22107 384166 445308 433945 126741 118975 28138 181428 181533 hypoxanthine 14875.8008 0 18167.8867 12796.7266 39264.7188 7608.8403 0 12845.7695 14224.6123 13030.2969 14319.1387 0 29998.9922 22853.6035 47244.7578 15567.0771 34486.0898 16254.707 8389.6738 6283.5254 7418.0376 0 0 15710.5586 0 13057.0391 15405.2158 13154.3242 9208.1875 6894.0947 0 0 48391.1758 8796.8887 0 8198.9502 0 0 7962.459 8198.7891 6243.2295 0 0 7134.7065 5334.0962 6810.3379 13751.0752 20188.1836 11372.5742 12894.8105 8403.3447 0 17210.5332 11385.5781 8118.772 15460.5635 20815.3008 11266.5957 16935.5859 17403.5215 9491.8818 13933.6592 13709.876 0 24264.5879 28071.5098 12845.7695 17065.3105 10141.752 7788.022 10623.8809 0 10418.459 0 9192.2822 6042.7368 0 0 0 12212.3125 16887.1777 10172.2295 0 18292.9082 6405.1094 44778.8633 15991.4365 7679.4272 10569.8691 8512.4971 7274.7334 11223.7422 0 13192.0703 8514.2041 22001.7598 21973 43806 53063 21337 45139 29072 17659 0 46123 25121 0 25401 50091 19896 54903 61898 7058 26072 34096 10347 21507 17765 19521 74189 6645 24066 28083 40410 31001 29420 15311 81024 35575 24579 19303 44394 38355 28766 123321 21568 76586 18985 25356 20196 25310 12179 22365 10751 20949 16194 42215 61009 175231 24104 496727 4565 19190 39726 31697 26829 19964 36815 20871 19402 3843 16000 63156 36376 16141 54669 29910 23317 6990 5168 81185 23284 14127 22014 24728 0 15806 26409 25356 35099 120397 11357 0 16830 6119 12322 45943 36064 27650 28606 27980 27832 24121 38559 36756 21690 inosine 89356.5469 39540.3164 47827.9023 84913.3438 97748.8906 30045.3887 41871.2148 57639.5938 46447.4961 60896.207 58112.7813 49058.5117 113325.5547 55455.9727 197866.6563 71102.2109 113494.3984 85421.8281 63142.7891 79181.9922 68549.0391 63229.6602 25563.3242 114238.7031 41009.4492 41204.668 91116.3984 138865.0469 70834.7266 77642.9531 61732.6172 157519.125 147600.8906 51462.9805 29185.8027 95105.6719 83963.0234 35960.6211 74077.5859 82514.1719 28612.8027 20268.793 16586.4336 14701.6816 8640.5693 12546.1465 23461.1016 48778.8281 51627.4141 71524.4141 122682.0391 68301.8906 80101.6797 27348.9902 37602.7305 40385.8242 59310.3672 126353.0156 26299.9063 88446.1406 79567.5313 121633.7109 57033.1289 64563.9688 138111.6875 132569.2656 80553.0313 64412.6641 69754.3516 75342.2891 109844.3281 36408.1953 42575.1328 73952.6563 83044.7656 70164.5313 35464.7813 22044.6602 73484.6953 54424.6289 39931.418 65898.2813 32104.7891 105184.3906 93043.6172 0 42115.1016 64715.2773 163096.4531 63145.9805 43858.9492 56846.25 72138.9453 112834.6328 12188.8809 92565.0469 0 9258 15626 44425 267647 0 0 105515 132280 31941 2198 0 5991 82727 81640 61753 23345 30426 0 0 22593 19323 20878 125419 40383 163576 95268 341232 9396 82726 44764 47778 104932 199064 75027 8860 181934 31328 54986 47447 124275 40689 21773 57527 189831 42404 0 0 173632 0 218429 127637 20499 16648 3172 52389 29954 99092 69690 54515 112630 44119 15943 27546 6004 141949 31716 36371 22093 54365 56805 56383 0 7131 4772 20389 74353 18450 59313 8014 4736 17308 61866 101457 29236 4173 5763 9119 13451 11641 30326 55592 29844 61931 0 5961 63585 15151 30786 68900 Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate, myo-inositol 1,4 or 1,3-diphosphate NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 45306 0 3654 0 23738 0 0 0 24560 7154 0 0 0 0 0 13649 0 51841 60318 15511 0 27426 15262 0 28952 14961 11324 0 19142 0 29085 7075 0 0 0 0 0 0 0 0 16006 4932 0 10807 12787 4907 25048 0 10979 0 22895 0 0 14466 0 4489 10417 6267 0 0 19843 14567 0 0 6021 0 0 13475 22095 20431 0 0 11026 0 0 0 174366 15236 0 16927 0 0 0 0 0 0 19038 24010 0 0 0 0 9348 11020 0 0 isovalerate 12509.8076 11235.6836 24800.5781 10807.2861 15695.6348 27789.9844 25219.2734 16972.5762 7879.3608 15795.9336 0 11442.7607 20682.7227 16995.3984 16171.5479 21188.9512 19872.8848 7986.2744 0 12207.0977 16667.916 7237.9023 0 0 0 15590.2178 39882.7188 50954.5625 0 3543.8381 0 8942.6377 9294.4053 0 0 6443.9785 0 20357.9023 6751.7256 9059.9092 8188.4497 14739.8301 8537.8359 18620.3574 18554.5313 24293.1133 25484.459 38112.5742 14950.6621 0 12929.3291 0 24238.9434 15695.6348 15219.7207 0 7514.4829 17102.2461 0 12773.9648 0 12014.6621 0 10566.5732 8506.3018 0 18489.8594 23049.4824 39191.1094 26538.3906 0 0 13632.8203 16806.791 18153.6953 9624.2881 13289.2773 0 7670.4194 10292.8857 13419.9434 16591.9473 10050.248 40659.7422 6248.748 0 24182.3574 18728.1445 38953.7383 0 0 0 17596.5723 29473.7949 22164.1055 9166.0352 40423 13114 36878 11906 4758 56550 3887 0 7431 15094 0 16103 15129 3029 14524 6312 9059 24500 26053 89620 8266 10436 6033 38832 11292 5013 29380 12137 4903 13812 10625 10451 5760 14365 97883 28510 9806 14911 22705 16061 25996 12152 11015 10272 30190 0 7094 35342 0 14136 0 17969 19652 27128 3052 0 6928 30976 4653 13321 8041 6946 17416 22767 0 0 9423 16425 2466 16046 16406 49371 0 0 21937 14038 10719 21405 19558 0 0 11252 5334 10412 35346 0 0 14524 7673 18409 9687 29788 19930 20417 12591 24354 18076 19387 36914 16859 kaempferol 3-O-beta-glucoside 240906.3281 117760.9063 5749.2729 75993.0469 8341.4238 42084.875 56590.0625 1475.2173 47801.5664 17284.1465 13094.585 30626.9414 0 5407.375 14140.4727 0 0 43541.1094 6170.6753 18112.6758 108596.5 96423.7656 0 149224.7344 7845.6343 18319.3555 18204.8633 10888.8584 194567.2656 295424.8125 165173.0313 47363.4297 43529.4609 36087.9727 32581.6348 30190.0215 18675.7305 29746.7246 14830.7295 0 23540.2969 41324.9766 33525.3672 22165.3438 89377.6641 32165.6055 23736.7129 73521.2969 192888.3906 40834.5898 22582.9082 0 25461.9766 16365.5459 74721.6172 10368.1445 0 74968.9844 6883.6514 11050.4326 148765.1094 52325.4336 16913.2227 0 3742.9497 2576.1035 0 13328.8389 34728.2109 152567.0313 76841.2891 757038.375 15297.8906 41821.9531 162664.4844 7575.9604 115843.5234 34126.7891 35204.4063 17297.8105 15116.1455 9240.1162 29452.5117 25703.0137 5060.752 59147.9648 0 36946.0586 380735.625 56476.1172 125320.1875 119173.8906 56492.4766 96222.625 0 206910.4531 15569 33958 91145 33981 4553 7229 6386 0 71756 0 5847 6098 104505 38518 74074 98182 10044 7554 16509 7255 24345 7655 43742 2657 16509 8903 39154 154302 159088 18660 17015 6550 23599 54483 14711 23079 12024 20534 15312 147123 0 41059 0 0 20906 4165 0 45954 0 21051 0 6925 26244 0 30733 11572 17706 3305 0 34556 7077 8407 5532 8738 5414 0 87241 105119 41267 24572 14048 10751 5809 14576 35017 48048 26589 6572 0 0 49354 0 4469 0 52078 2561 0 3629 13727 18868 12081 6492 15815 8612 8025 125141 51934 0 6082 0 linoleate (18:2n6) 98730704 31555084 130833832 90347408 85980952 89409032 40539868 99539912 86243888 94757816 162808736 73469072 91330992 50100140 143953376 91130008 102051368 100557576 88191432 97806192 156566928 155396976 133344912 196480512 106569160 113137544 93737944 60923460 61797588 85152080 52108796 71303808 145954960 138683936 119333552 47902364 135183472 91129536 102320912 47437692 48906692 69722872 99377120 84659912 87590576 45713620 43395800 44108124 128850008 117077512 60517092 74020688 102704592 90538392 78126600 43844812 25288048 70545240 105669720 48204828 127366600 118361880 95777696 45174144 131046760 85954928 94757816 140320864 147831488 119893920 85083128 81047552 82230672 109478120 93741392 119380256 121657776 138501040 120114032 112973720 128676248 97557456 111328672 129337528 66533820 139611840 85084896 115212496 96239400 111226264 134927296 67336152 55015140 99165968 35198208 85380080 54465904 45261736 18664982 30718258 77434336 82527032 37426816 377798 76769888 107187952 875038 25389826 28963078 48112824 104736536 15425466 14066657 19149162 47944988 113153776 31225872 156355136 116566360 97743992 30572134 83425712 87223872 73161824 48650044 64026064 57591876 36146428 89961544 39898424 122716016 23164062 58552152 55034696 40605188 40515084 48493756 89250520 32375410 36904140 128987648 58002396 29628266 43440756 79294160 37900720 62810968 52815880 50557036 49137752 55762028 34163216 23917430 25865738 37752320 78355704 111418416 19942094 36787604 85883832 1792242 61513860 14406086 25289688 22682220 47944988 89923024 79295648 1775519 1451474 25699374 57649708 55960560 38255060 40839892 312046 45542996 97347448 85531680 59645004 47396224 3092190 2393469 18416330 24098638 72271536 46253848 70888840 47809792 46308840 62623492 47001200 56826172 97323512 58564404 49187880 linolenate [alpha or gamma; (18:3n3 or 6)] 10654201 2948315.5 12776335 16383014 11478618 8138591.5 3036267.25 9621979 13792993 14051503 35665456 12689621 8740624 4205327.5 19234488 6654496 10156931 11519856 9372943 14394906 34057440 35197476 19093478 19527688 10994926 12770813 10246528 5520588.5 5689831 11944574 5929907 6763550 15011288 18650918 13563397 4166490.25 15627218 7247339 9463789 3440235 4486856.5 5120467.5 17735630 10288193 11081205 5819139 2068454 2251127.25 12413950 10605379 4057864.75 7800210 8438828 7355066 12634484 3048516 1722713.25 5086912 11360382 3224427.75 11244981 8952810 11122528 4648996.5 30553176 9389774 7968689 15001840 21741892 13194267 10026874 9409711 11576153 19712004 10629790 13091552 14547416 23420296 11536999 11156898 13484661 14344739 12943794 18067242 7110850 20123032 8333967.5 9923931 6502295 10629790 11030404 8934557 7008541 11935589 4228299 7403780 7543365 5529375 2204787 3917188 6507321 15279492 3597981 53289 9980313 22793168 156062 3272739 2686056 4695923 9956095 5371663 2400156 3158570 6210175 14167600 3387803 18159280 8269080 10776000 3162863 6386507 5644858 11239727 5807487 10614629 8019233 3813677 6954916 6891794 16601519 2819739 5437452 6370301 4237271 3455432 6032858 19635862 6931955 2284131 18593346 5644858 4523002 3387003 7870998 3766164 6612957 6233344 5434747 5207645 5918052 2221865 8015846 3561997 5410142 9006467 12433531 2392217 3777759 16217399 181974 5786158 813188 3350673 2349304 4478005 9504252 15028894 209937 160395 2116419 6674115 9318376 6379985 3512334 78062 3110999 8743098 6804784 7814914 7501657 307397 287866 1818971 4413537 8991091 3384912 4699782 5440877 5970874 7853708 8463505 10601634 9314560 6477713 5280631 luteolin 11457.1982 4841.8315 0 0 0 0 0 0 12572.5898 4521.9927 9212.9336 62975.1719 0 6461.2612 7189.8716 0 0 0 0 0 17725.9902 19789.793 12572.5898 21595.6973 5874.0435 0 0 0 16906.5469 12458.2393 2645.075 5764.0542 0 9985.8096 20736.6504 11691.6143 7592.9932 47315.2383 11221.5029 0 16685.8887 80634.9531 45460.4141 14299.1094 79379.8906 157324.2031 8023.0601 37677.8672 14497.2734 0 0 0 12841.0732 0 0 7414.2202 4995.2329 4517.4033 26814.1973 0 0 0 0 0 0 0 12304.1074 0 0 5024.5967 0 267832.9063 0 4490.4009 7687.1206 3147.728 53759.3633 31128.4902 0 0 0 0 0 0 0 15210.877 0 0 9982.5371 21964.1895 14833.8438 19904.3438 17524.3945 5946.8911 9296.0879 16760.3457 0 0 20402 9110 0 0 0 0 8087 0 0 0 9655 89893 12013 95470 0 19156 15417 0 0 6599 9495 0 0 0 0 52913 364746 0 0 0 11115 9626 0 12921 0 0 0 107472 0 12441 0 0 0 0 0 0 0 0 0 0 0 0 0 16174 6213 0 0 20992 0 0 0 0 0 0 4857 80609 0 0 0 0 0 0 0 0 0 0 0 0 12013 0 0 0 58764 0 0 0 8348 7116 9216 7659 5716 0 0 88983 12013 0 6805 0 margarate (17:0) 3791730.25 4107965.25 5511388.5 2768969 2490204.25 4937305.5 2584667.75 5172912.5 4613968.5 6882416.5 10208801 5334026 5744952 3741300 4847870.5 5666968 3808441.75 3369756.5 2245892 3000113.75 6706602.5 5518267 11303782 9201571 6368440.5 5968155 3043656.25 6087858.5 4294615.5 3900389.5 2146816.25 3705215.75 5341297.5 4998802.5 6245974.5 6103630.5 7365019 5321125 5090435 6059536 3954704.75 3474252 5789751.5 5897822 4230905.5 4304934 4591792 3802115.25 5582801.5 6963667.5 2098627.75 5567734.5 7462188.5 6722512 3759994.5 3744305 3306557.5 3252977.75 5865338 5547095 9120403 5669459 4917472.5 5944619 12679641 5547095 7291095 6071981.5 7621466 6966398.5 5978987 4629506 3011892.25 4447280.5 3920512 10332480 11380306 15846408 11093857 6998128 9104504 5942579 4042616.25 6249864 2479479.75 8255019 4663329.5 8986128 7273578.5 3954111.25 12508381 5131402.5 5682465.5 7726320 6250345.5 7383477 1535994 1176757 1037383 1034818 2904147 1029761 1151771 431069 3957889 2166219 401352 996591 2177641 1585182 2392821 591500 2158588 813302 1504376 5710746 1069966 4480770 5915071 2654391 3558682 5422009 1934227 1568787 2748397 1739966 1450898 1135239 2845567 754307 5906010 1209962 1585182 1242107 1198652 1633975 1802632 2648085 1111510 1612856 3077858 1672681 1095087 1820680 2807081 1850805 2197119 969184 2151109 1924311 1294908 1740355 840883 1681638 933166 3037946 3174344 1384327 1309026 1513439 603185 3780333 767828 1089519 1444051 2247171 2959769 2103012 663728 766632 1036269 2092586 1915092 1491323 726633 380796 4276718 5949807 2834091 1634297 1684480 528006 589974 876586 1263697 3800964 1924626 2381634 1155407 1441433 1376247 1281773 1536389 2394233 1951100 1257758 methyl-beta-glucopyranoside NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 4264 7362 5762 9779 39210 0 0 12028 17291 40745 0 3823 0 242102 2134 0 0 12435 18330 3094 7864 0 3323 12435 97039 7942 11660 17893 4196 13813 12841 0 0 8917 8133 29375 12542 11827 206636 35024 0 5836 8643 0 0 0 15195 0 15141 0 0 22670 18413 14976 8358 0 0 5022 6246 15164 7722 11625 56619 107661 14734 6360 17515 5333 15295 10464 24451 0 0 2475 3082 1951 7190 4616 216710 0 9324 8314 22381 6313 69235 91850 47566 42183 7696 0 26153 0 0 0 3828 17513 14933 53990 15368 N-acetylmethionine 4539.6904 3745.7666 7503.3594 11786.1113 15326.2334 4816.7905 12316.8779 15378.8447 20381.7344 22901.1133 15529.0156 5745.75 7951.2495 4809.7227 13240.834 6323.1826 8081.9316 10379.1035 4396.2739 14484.3574 13868.793 15714.9648 2648.4119 11918.1543 10683.8057 12877.2402 5583.0381 5356.4126 6001.7944 19024.2734 0 0 3513.7651 8700.416 2569.4707 2029.0698 0 0 3202.7737 0 1617.2284 0 0 0 0 0 2216.1782 0 5116.8228 8389.2148 8389.2148 11673.5518 6651.5469 11179.9561 5108.1392 8411.8154 0 4953.9219 0 2963.3228 12379.3115 17559.1875 2608.9016 2585.8293 7838.4438 4194.3667 0 23533.2246 17754.3164 18408.8105 6484.4434 0 3852.3145 5146.2183 11428.0928 2998.3728 22115.0645 1659.4117 17427.7734 19075.3418 7044.7344 12535.6582 9975.3828 16225.6055 8696.498 6168.3911 10093.5703 14079.998 7241.4736 15018.7676 0 3183.0605 23920.3789 24992.832 1988.7955 25300.9805 5879 6164 4711 4864 19124 12973 5834 7986 5516 29193 8526 4033 9355 7523 8175 0 3168 10853 14366 0 5295 9444 6567 14255 12312 8385 15697 24870 10894 10702 4489 3534 4587 18371 5769 17842 10458 8574 4395 6483 12352 0 0 3988 16687 9006 7128 14565 14008 5630 15383 27971 58818 11153 238397 0 26590 3987 18344 7241 20653 7661 5815 13896 18075 3991 9407 2145 3733 6426 5084 12392 14922 5842 11082 4617 4705 2317 28479 6589 105712 5671 4559 4671 3881 15655 17782 8280 14703 3668 6318 7268 4951 7192 17375 7463 26349 7919 21935 16021 N-acetylmethionine sulfoxide NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 4058 0 5419 19314 7749 0 0 4524 11758 0 0 0 6255 6916 0 6129 0 0 9168 3611 7267 12717 0 0 13005 11571 10632 0 2724 0 0 7359 7450 7083 0 0 0 2333 0 7267 14189 0 0 6997 0 0 0 3632 4664 0 0 6450 7122 30234 8629 3099 0 0 2826 11874 8577 0 15604 0 6852 0 0 6955 9028 0 0 0 0 0 0 0 0 0 0 51355 19610 7826 3556 0 0 0 0 0 9326 0 0 0 0 0 0 5951 0 0 0 N-acetylphenylalanine 133409.0625 128313.9922 120449.6719 92437.7031 148889.0625 121228.3828 66638.5156 274587.4375 175136.1875 201219 118044.0938 65728.9063 141234.4063 133590.9219 168116.6406 102785.7813 109541.2969 86730.9844 46860.0742 101375.8047 141774.4531 124472.9453 73402.1094 106534.4219 76715.3672 115032.0313 83687.0859 66373.1563 117163.1094 117835.4219 69090.1484 66572.5313 108622.9063 151278.8281 116359.2656 49614.2969 22780.9883 126634.4453 87478.9844 72615.8984 35820.4844 51111.2539 119771.2656 72682.4219 110620.125 86721.5781 112548.1719 143733.2969 104161.3281 87441.6016 137568.0313 99721.6953 121937.4766 129188.3828 118118.5 51875.9688 65880.7109 174763.125 140961.4219 60453.7695 71596.5313 161498.0313 47276.6055 48093.3164 55184.8867 75615.8203 115190.4297 189073.3594 210443.8281 207807.5781 123388.1875 69302.1563 67565.3828 146945.9688 154379.9844 57826.8086 94359.2188 52939.8789 127499.6328 143386.25 104030.2656 108767.1172 100265.2891 95714.9375 120978.8984 659631.6875 84391.9297 99640.2422 203858.9375 176075.5313 109541.2969 166451.2188 81533.0313 82717.1484 125265.0391 518988.0625 35331 42057 21082 43662 64196 70082 19559 0 36853 59309 0 44566 33342 59718 93625 28755 15874 77849 78543 92890 66152 100162 31394 41566 29250 31441 140356 213075 47441 74453 20641 32469 33889 77630 124582 58224 98190 44004 55138 40119 52301 70005 34869 33937 98464 92934 16618 48660 100988 30828 119559 25960 74144 63938 89154 43277 31108 49193 38022 47290 69230 69665 25467 151194 0 49193 16314 29842 33800 58595 59460 112491 0 0 46590 32316 19672 58493 22416 0 79136 46195 28293 40697 60172 0 0 47948 71043 50438 85804 69980 38164 49308 20233 54722 52283 60412 82975 41100 N-acetyltaurine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 18192 12021 16652 18375 13167 5680 12523 28627 21007 31202 19756 15275 24381 21351 7411 20978 34209 13846 8906 37763 12139 12042 14666 18664 20481 33354 9437 8902 11346 6155 19490 17607 26738 23492 31877 10759 14405 16980 14283 8100 12079 18694 30306 8135 12846 14107 22646 17291 11466 19402 13642 13491 8244 8185 22102 12124 25801 15143 8042 11882 14515 7670 10288 8141 17312 7930 12399 37127 21083 16843 14798 13831 36030 26398 19331 14180 21208 14873 13923 20109 23845 7050 7622 5229 8779 14746 9699 7455 7248 16729 7332 13065 13050 13390 15262 14515 14754 4444 14950 15864 N-acetylthreonine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 9314 0 20457 0 0 0 0 9469 26802 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14171 167865 0 4287 0 0 0 0 0 0 4904 36987 0 0 0 0 0 431 0 0 147412 27059 48372 0 37303 0 426758 2227 282494 0 395845 0 140158 0 136384 0 0 52652 0 0 25643 0 0 19172 14341 47427 0 0 33810 0 0 0 36535 0 99062 0 0 17661 39260 0 0 0 44398 0 0 0 0 0 0 0 109563 17089 0 0 N-acetyltyrosine 65000.4102 38945.0859 39273.8555 36485.3594 37074.6563 24722.3086 14383.5195 76491.4453 118353.1797 89919.0938 96379.7813 44667.0898 62946.9297 37877.1992 58499.3281 25089.2852 31508.082 28773.0449 12927.1221 34690.0469 39759.5859 33915.8359 20597.6836 34492.5391 18717.0332 38951.7031 31770.3574 16950.9004 32771.2148 66495.9844 61736.2227 13009.9346 26028.5078 52942.7383 47248.6133 16581.7852 8828.166 29617.6953 20321.2559 15430.1719 13662.8457 17604.6074 19665.7578 29843.8809 37061.9492 24887.7383 24984.5547 34523.3906 30078.5078 33339.1406 38305.2305 39479.6563 52141.9883 40894.2109 35397.7422 18768.3926 18765.3184 26397.3066 50061.4063 27401.9004 27918.4668 45856.0859 27673.0762 21065.2871 34738.5039 30275.0293 55354.2656 78363.3906 39853.0664 63145.5938 31165.959 33391.2539 29391.6406 29323.9473 33207.4336 26844.8555 36622.293 29933.1582 34139.1563 57075.1172 39907.25 22540.4355 30355.1074 37861.3008 25201.2715 80221.8438 33915.8359 43585.3828 72041.3906 37138.6758 23527.9141 41259.4336 26776.5957 28360.7227 41710.6563 112069.2266 14387 25339 11376 19706 15489 26333 7368 0 24032 26192 0 16717 8557 23652 37408 0 10259 33839 50277 0 0 39034 15198 23431 27507 15804 80105 91000 10978 41870 9120 18829 12365 26386 8827 39803 61236 21942 16234 19763 30466 18478 13757 12377 59824 24196 5506 32573 34706 32152 43092 10460 71358 29465 8554 19196 14501 17273 17237 23689 30614 29761 17216 50811 3746 23817 8459 23420 12269 21597 24541 24436 0 0 15207 16850 10013 24037 9837 0 9317 13823 18085 21252 8316 9475 0 18084 28927 42136 34751 34309 15464 15963 7820 24749 24045 40577 38804 24510 oleate (18:1n9) 35568848 12190712 46932508 14125989 13261505 68599904 24591928 79755448 33001492 44480856 135648848 62977548 74672840 36829756 92261840 71138568 80674240 43789664 43240124 57587280 91769328 96119152 133578256 128906520 56330040 33817688 63234276 54883996 60851728 41911172 22187300 13612507 65226420 36396372 52908832 57507216 132974248 61314988 67458744 54419108 11610151 16959042 58787728 31728378 27973252 12062459 54086144 53589256 63174264 65636860 16326036 53213880 91315640 33350142 57407712 17311284 15837819 70173224 114554768 67530024 51731512 43904308 65054912 35368888 107917928 55902920 105266352 71162384 33029748 30974060 103592272 128236728 38788060 28960564 27115732 70797696 38756856 38471980 35615964 37220076 48554612 52908832 48515600 107451736 26241198 63424324 36540440 81168568 30152724 21993464 29897098 83824032 45886792 73057432 29864654 23762388 16225937 17456208 8080552 2216045 62601580 15209757 3699009 497227 26048724 13616978 696970 8483546 14332116 21722788 44107528 5627804 3954788 13890931 47811632 55884880 10053938 46567192 74638280 54533392 13825116 32803562 7814732 14662571 39221824 18324454 3701983 8968931 11309282 6872839 27391144 12043795 15793457 6469662 13357011 19103712 44180672 69698528 8212020 22882558 61715492 14477201 4185623 9507233 15675782 9763782 47186736 17837106 16858566 34295180 5749109 26434344 7792382 13825116 10423782 71722672 17299068 49006804 5085400 17059658 718121 23854238 3506978 7985826 5562342 30566356 11768660 32679236 651669 684991 12811148 14033254 5178028 3936127 13604571 660109 12723338 39715860 30574840 31985572 13061232 1030912 798853 5611145 6404726 85191848 57388332 83441072 7615379 11671186 5140888 21317012 47952816 65717332 10970004 10154968 oleic ethanolamide 101763.3516 111008.2813 206873.1094 56151.2734 25130.7773 246691.3281 179594.5156 274629.9688 240165.1875 226467.7188 253834.4375 329450 411917.6875 275861.4063 316493.2813 201240.6406 221658.2031 114360.5938 214421.6719 79869.7344 164687.7813 240113.3594 561216.625 508106.5 249982.75 81990.9141 217141.5469 343194.7188 245710.2969 45093.5938 66113.8125 39575.0469 193558.4063 70127.2344 103121.4063 593273.6875 326734.375 198519.8438 692355.625 420754.1563 50122.6484 65004.3945 214084.2656 272875.25 106296.6953 123270.5781 391950.6563 419290.4688 255375.3281 326398.6875 130843.4063 231539.2969 768960.6875 162458.4688 372353.9688 222755.1719 141127.7188 366290.7813 237509.7031 345045.6563 162056.625 184095.2813 317507.9063 379111.9688 375521.1875 166012.875 385816.6875 179175.4531 143187.4844 174441.0781 783187.6875 499739.9688 96272.2969 254252.8438 229180.5938 318517.5625 113125.3281 152702.0625 168122.2344 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3815928.75 2826340.25 3184343 3569416.5 3319655 2261044.5 3038031.75 2125137.5 4017798.25 1394532.25 1563191 2347831 2186624.5 1134378.375 1940002.625 1029070.8125 1221128.625 1959714 909496 460430 751893 1483544 982846 1014437 452971 2888806 2902654 211444 611054 925414 1221151 2156654 602020 777856 1032556 1151491 3579002 1086874 2638736 2354472 1850831 1301935 2263243 939462 1134530 2131914 778134 1152083 836419 2476698 867026 3898704 590030 1163762 1624888 892238 947690 1179888 3351690 1342271 1134530 3323072 893162 798745 883185 2196154 816372 1986881 1153089 1099371 1394766 691152 1231828 740207 887344 854479 1759856 1722653 1280582 684652 1306827 372515 1250757 411339 519172 537203 1425320 1910078 1834249 410224 357676 686514 1115971 1779835 1306510 895447 229347 1145140 2940703 1303097 1737253 855471 312342 260075 367247 451879 2636294 1310395 2256287 800344 814226 1600930 826034 1350393 3578182 1802643 1089379 palmitoyl ethanolamide 358699.875 457024.0625 887218.0625 365713.2813 202236.2656 412360.5313 337712.7813 272151.6563 845787.5625 1079522.625 646691 623099.9375 695857.25 587199.25 543381.4375 437946.125 311457.9063 316713.5625 535733 174297.4375 419613.7813 529065.875 1236321.5 1717707.375 674832.125 337121.9375 524411.375 602826.75 253299.375 73720.7969 119701.8281 208500.5313 450852.7813 279241.8125 270562.6563 798453.875 563947.0625 535733 1571059.75 951052.1875 288922.25 313545.1563 428905.5625 1280113.5 383527.9063 305424.8438 530473.1875 495385.6563 679326.375 540992.8125 362917.4375 579610.125 1360816.5 394830.7813 711500.4375 951259.6875 405041.9688 442652.0938 365826.0625 603071.6875 567231.125 488154.0313 695104.75 964489.8125 906253.25 507448.4375 1161727.5 639717.5 689683.75 981585.5625 858660.1875 285589.9375 223662.8281 945570.125 889869.0625 951842.875 473610.6563 958295.0625 674092.6875 376821.125 627024.6875 190371.1875 296998.6875 668481.125 388617.6875 524356.9375 415078.875 621294.8125 633643.375 378465.2188 1433000.625 1406180.5 971412.0625 1409771.25 509599.25 1480615.875 162379 93773 53092 93261 496273 363036 163425 2831 498745 735272 7251 57332 447762 129460 377577 109712 22723 208595 221138 756568 226207 785512 915581 376890 22744 629438 207605 224800 433321 325237 151977 142274 544072 115345 675510 80187 636269 133088 174037 291049 316986 454670 322868 185577 417335 236360 49314 229346 246569 208387 62674 262915 651833 259143 35806 118453 68333 52123 114720 586214 328475 330918 131894 91380 5319 768054 31132 70563 217474 410031 465871 259887 11351 14353 220932 156117 347546 214015 220965 7006 217474 504965 607267 239757 185105 12680 9361 8170 11858 958924 147076 656283 186493 122882 377492 197139 481662 251405 291337 131335 phenyllactate (PLA) 14533.8643 18803.3105 26289.0332 56114.9297 28561.0645 54651.1797 49953.7734 27348.8496 24675.3301 30332.7207 21518.2051 14934.4561 19478.8438 15042.4385 27607.916 23521.8496 21372.1914 78765.0391 36201.6992 19702.4414 18471.4043 11004.707 17636.4551 19313.8633 21624.2598 35185.1523 15480.1416 26448.4805 35351.5078 99975.4531 32727.4688 33937.6484 53989.7383 15707.6426 21914.1641 22977.9629 21457.2676 14367.8037 131668.0156 128989.3984 124924.5234 78948.1328 62647.1992 151120.2344 204896.4531 14778.8906 32365.668 39925.2031 46181.2305 24830.7402 29083.627 20674.375 39849.1484 26607.9258 17225.5332 80452.8203 55694.2109 48997.1992 13894.8994 16206.7129 47425.4336 70684.8125 21119.0117 26448.4805 32864.2383 12778.499 22993.8457 24337.2734 33865.3633 37113.0938 11518.7344 11669.5908 62694.8945 9962.5059 17632.8887 16680.582 50432.7656 21694.8301 60700.8672 66799.0781 26287.6426 41084.2852 30209.2109 20545.3438 16746.1504 8378.75 15980.2646 30666.6289 39359.9258 12963.1152 16149.6709 32733.8301 45790.0625 179146.4531 8292.6904 25659.6504 14091 9598 55900 20047 40569 28315 14206 2616 11194 23135 1657 7480 141936 23573 22483 28916 7421 30754 16059 41111 17035 52004 12202 11141 4902 11823 20436 49181 515649 11541 86635 11160 16063 50052 63751 12856 14105 23458 11355 34535 42789 4280 10759 6777 91041 9394 67396 67514 77734 29364 12651 25175 151921 36466 296680 14560 56847 23059 56438 16697 24804 14054 4594 9740 0 12651 187180 25635 6351 13650 15076 21541 929 1659 156856 24160 33113 11247 7658 4835 362935 16416 27683 12608 28204 0 0 6440 7527 16091 24429 16959 9231 15846 24038 12672 63721 23171 51597 24398 phosphoethanolamine NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 0 0 0 0 0 0 0 26756 0 0 3846 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3682 0 0 0 0 0 0 0 0 3929 0 5035 0 0 0 0 0 0 0 0 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17083 23006 7863 5343 5693 8267 15220 0 11501 0 0 9301 34766 33543 5730 32682 32811 14427 21925 34703 6090 0 25267 0 14499 22405 9222 5332 9114 8647 10801 0 0 24538 48879 16821 12807 32179 0 22021 37945 8206 5935 14289 0 0 4639 10570 7629 3548 0 7951 9706 16217 0 11699 20948 37288 0 sinapate 31154.3301 33290.6328 75896.7656 103179.3281 90252.9844 378520.7188 439100.0938 387817.0313 104868.7891 448618.4375 381497.2813 208078.6094 385608.75 70764.1328 277405 84207.8594 101322.7266 240312 92135.5078 375917.5 392943.7188 588383.4375 47733.5508 244211.1406 118109.1719 66681.2031 187201.0938 54312.3164 45363.2188 53061.5625 9859.6406 21205.8281 320231.125 266766.5625 220291.1719 83672.3125 27469.3027 10944.876 99466.1328 7320.7832 53903.7891 82590.9531 0 25204.9395 8407.0088 4159.3599 39964.6133 91357.9688 32487.0527 376106.3438 307868.1563 241082.5313 122333.8594 165260.5156 87522.7656 7291.8774 4498.5571 101322.7266 37212.5469 88099.3281 122826.2656 216162.4844 92474.8516 91832.7344 150946.5 24195.0605 37525.5859 552766.75 78001.9453 63768.1641 165832.125 384639.7813 103591.3906 142049.9219 182285.2031 158950.2344 72794.2422 248377.5156 141156.7969 133340.9531 74510.0703 269623.7188 292810.5 326730.5 215421.6563 0 79869.3594 366001.0938 73981.2188 81145.875 173038.625 49180.1367 90458.0156 340651 12214.8789 189575.1563 126700 214444 51351 96103 34043 54160 377892 10584 44417 12150 14322 92178 50678 72659 11216 17833 34042 97519 16191 0 13281 134192 23494 373197 164128 58938 74944 245501 38134 265042 73122 74618 87170 193587 148920 28382 183846 73808 48445 92903 66483 62046 4186 166289 68838 36337 29587 271380 73808 13280 49225 79433 109428 75344 417158 97095 38121 324508 135050 132977 235558 20196 173617 24269 273530 115781 153108 141355 12710 28549 18113 252899 96394 80489 36193 73493 294928 57460 659928 81545 13399 17620 152010 117461 39419 160389 319650 525355 116231 8840 227576 204758 64261 111538 707729 102965 463689 12735 105625 454808 stearate (18:0) NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL 14982898 12652110 13452907 11053176 30328892 14956945 15594014 9262953 24664888 14063695 9657026 13598799 17726534 15109419 18115628 9703487 20594350 9955978 16061882 32409698 11849523 28623988 35711396 18249210 25816006 23384462 17317524 15991685 20366686 20792586 13224993 14121723 21523328 11228027 26315944 16159219 13976666 12822189 13728253 16305584 19768672 15849908 11727276 13084044 15157756 16157873 11970184 22907492 19075942 25725086 18707822 13589062 14032778 16852408 14841928 18312612 12135202 18401916 13202601 26984696 19477428 15815614 13741513 14924859 12985159 20514898 12787952 12693601 12990108 18616898 16911612 18782212 12373616 14655976 13663232 19468212 16955560 12933726 10651480 11953958 20039742 26912830 19513200 15731464 16409411 13224090 12311811 15325320 16518279 23318698 18655148 21971036 13506897 15832761 15851777 16857784 14658476 18427186 15832761 13703381 syringic acid 23736.8809 13639.582 11385.3555 19363.0742 8506.502 12029.0469 8894.418 23907.9316 29624.8066 27455.1816 148989.7188 21419.0684 14719.4199 12416.29 16917.5703 11388.7227 12548.3047 13371.0117 8601.1992 21346.1973 70831.0156 39224.6133 61473.3203 63326.0938 18506.4941 112720.0156 13839.9082 10884.6338 16712.9707 49136.4219 21460.0488 28385.0117 32754.416 15422.3945 12397.1328 36870.5703 24397.1641 8662.4688 24298.4414 9544.3193 14888.8252 15851.9395 9692.4336 18156.6328 22971.5098 7617.4985 12478.7227 17930.6797 13805.7715 13227.0225 10070.7461 34179.8516 14881.7578 10123.5625 18172.375 7908.313 8650.1016 16711.5801 35461.0859 11944.1621 38021.9648 34943.6875 21711.2051 17434.8008 136038.9063 27302.9746 48215.5469 14305.5811 9112.9229 26669.0898 16684.1543 21491.2051 32185.6348 19807.6074 25340.8047 100920.1094 17434.8008 80229.0859 17513.2285 25568.3477 22134.6035 15116.499 15976.8633 23497.2695 9568.5654 34187.9805 10077.3643 44166.1523 13213.7666 10220.5293 9304.0313 9359.3164 15363.8779 17407.6133 13867.8564 23304.6855 5813 9398 4328 11023 8945 16226 5230 0 19558 11331 0 8429 5394 19242 16484 6110 3516 6959 14027 13125 18253 54713 29158 6713 2542 51711 8185 15337 10478 11441 13121 3731 24646 9509 12187 8400 6036 9382 6935 73992 18038 19328 10342 6031 7237 5103 1562 13637 14058 12563 0 1285 5944 18703 6539 15568 4618 3117 19312 11681 37848 11700 3490 7835 0 49132 3749 4205 13569 9390 11073 9125 0 0 9784 12974 6683 4422 4366 0 12640 19724 21286 10105 6781 0 0 0 2422 10676 6471 6478 6201 5392 8865 3004 9390 10020 7613 2793 urate 0 0 0 0 0 9805.8564 0 8377.4873 0 0 0 237110.5625 0 0 0 0 0 0 0 24418.8027 165411.0313 2510143.5 0 26994.7891 0 349732.2813 0 0 0 0 0 0 0 0 0 0 421377.7813 0 0 0 0 26276.3789 0 12208.9072 0 0 0 0 0 0 0 0 0 0 21860.0098 35406.418 36124.8281 0 0 0 0 0 0 0 0 15870.0801 86270.2266 0 0 0 0 0 0 0 0 0 16197.5586 0 0 0 0 0 0 0 0 2245026.25 0 0 0 46203.6484 0 5908.6377 0 0 0 0 0 10197 2558 0 19130 54598 0 0 816045 0 2332 0 0 0 0 0 2957 0 0 8258 7687 0 29909 0 6544 3613293 227761 69813 13145 0 3900 0 0 0 8258 0 0 1916 0 22661 0 0 0 0 0 129805 5816 0 0 0 0 38050 20327 0 80557 0 3980 0 6672 0 0 0 0 39051 0 0 3732 0 0 0 0 0 5893 3747 0 0 0 0 0 0 2395 86497 17073 0 0 4067 1567 7784 29364 0 2977 8732 0 0 0 0 2755 0 0 0 uridine 1895257.625 1989400.875 754612.125 1406096.5 1323651 1148758.625 1590497.5 1258004.125 1333625.625 1150927.75 760652.5 1445579.75 1473339.625 1315560.375 1108957.375 1297002.5 1261989.875 1127439.75 1484855.125 1070395.625 1152552.625 1255647.375 1090988.25 1098561.75 1152314.125 814849.75 1263341.875 1285326.875 1049424.875 1309752.625 1106789.25 1408555.125 1240170.625 1361221.375 1366274.875 1546024.5 1357698.375 1011842.8125 1453784.875 1355915.625 1171524.75 1295038.5 1480487.25 1212645.375 1305916.875 1665726 1360077 1369721 1395646.5 1392012.875 1707549 1043464.1875 1194546.875 1077440.375 1212137.25 1480483 1438660.5 1089362.625 885189.875 1177478 1353756.875 1434575.75 1450717.375 1473022.125 914004.5625 1495762.5 1285326.875 891934.4375 1205709.25 1110737 1484383.5 1316482.875 1137920.5 1312491.875 1468294.625 1040159.75 1123992.125 1455599.25 1182970.875 1003184.1875 1006067.5625 1363830.5 1097188.25 1261731.875 1722303.75 833562.25 1323932.75 1284347.375 1156672.625 1595567.75 1666733.25 1783060.125 1284091.875 968275.5 779708.3125 1286306.375 482966 675312 421912 689006 1057769 496245 535653 251979 685566 1213380 246743 345156 309920 758897 859471 588697 482200 780169 431873 515299 546212 537999 737276 795524 427789 570380 795599 1231623 233406 911117 546212 296981 1061094 919965 623942 509610 828439 694327 307520 309461 554433 1016457 574516 708888 666560 387273 666515 240592 709431 294456 804615 826966 301374 450347 474153 536790 865206 575091 699665 763750 819203 587783 323420 543821 417312 786895 395967 422930 825884 464291 742929 803837 262925 195345 190928 397371 654798 861030 965519 323838 519250 454047 1078022 810436 453230 480323 397995 459330 500650 449811 628630 537992 438935 463499 570079 495616 1108899 418474 717678 914350 uridine-2,3-cyclic monophosphate 0 5809.3008 0 8428.623 0 7276.979 17345.5391 0 0 0 10028.0303 4529.8115 0 0 11797.4434 9267.835 30373.4297 4500.4624 3543.1641 0 0 12897.9229 0 0 0 10427.3799 11980.332 0 8660.7754 0 0 5826.9819 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 24462.0137 12695.8555 0 0 0 0 17402.0762 2661.7153 22815.0742 0 8888.833 17294.3203 0 7627.8525 10427.3799 0 0 0 0 30034.0469 38950.5742 20563.0078 13170.0654 0 35694.457 25053.8145 0 6701.7959 3388.0337 10427.3799 6317.9126 0 0 0 2886.7634 15757.1777 0 0 13330.0459 11187.6396 2464.7732 0 0 10012.1729 2671.9226 0 45014.3711 NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL NULL vanillate 24380.5137 11959.3926 17677.1016 74905.7188 27468.623 17433.3145 10336.9248 25540.0449 36738.918 34172.1172 55793.3086 19392.7305 41186.7734 14762.9844 10987.6201 17595.8359 26002.0762 9470.9014 10647.5586 22909.4004 19452.6777 36530.7344 42767.6836 27431.9473 13875.4072 16916.6445 13551.4404 19840.4785 35736.2031 9048.8252 13254.7793 54111.5742 22551.9863 13978.8564 13272.2715 33003.1211 27696.6406 15789.0059 44902.2305 20497.0273 19392.7305 13056.2451 13468.2666 48352.3008 25507.0586 10564.5361 10887.0654 24393.5547 34855.2734 34190.8203 6087.689 14767.1133 37834.2539 10360.6328 16150.4287 11966.8965 19392.7305 25950.7266 25217.7578 16300.8477 18327.0234 12861.3643 0 15303.7822 35971.7109 40302.7852 33413.5391 24030.6074 7668.542 56229.6875 20553.6016 19006.1309 19251.8281 19107.1367 30536.0527 12405.876 31597.5391 20814.9707 12874.3447 19030.4258 16830.9004 20487.5352 21652.6406 54388.5664 11468.4756 37138.3398 14045.459 11530.8066 12646.124 6330.022 10623.8984 17412.0488 20435.334 18600.9395 20673.3828 39312.5313 14298 5760 7430 8265 10613 14724 4033 763 26557 12541 1365 11526 16839 14248 20694 7970 16917 11055 22603 33862 20626 36146 41061 15608 7340 43205 12541 17559 21179 20344 18726 5343 25611 10713 26687 14515 6407 6036 7491 32141 27474 13829 18849 13556 9026 6880 2236 14343 5194 16136 2202 11072 12387 24000 9338 9040 8420 9423 3753 14978 14705 21449 9136 12772 0 21146 6249 9307 11515 16953 17365 16783 1990 2176 16928 30658 4950 5833 7157 0 23957 34745 24932 31253 13789 0 0 1530 4784 33175 8506 7104 11221 11154 8324 5688 16240 31065 8181 4192 vanillin 163164.8594 65782.5313 104051.2891 93153.8047 90234.6953 55522.1094 75829.9141 121703.2344 128320.4922 212457.125 104010.3359 127417.3828 62096.2461 79136.9688 53866.9648 148159.5781 147144.1406 74059.25 74071.9297 109117.7031 108128.0938 210546.5313 200320.4844 51951.3477 38183.2695 62482.7266 53553.9023 89353.6406 102929.6406 84808.6016 124606.2813 364481.4688 185304.1719 76458.4844 71280.3203 246812.6719 230467.7813 191840.9531 121880.4063 152845.0313 103751.1172 74220.0313 92123.2578 158696.7656 194950.0469 58490.8477 111094.2188 164664.7969 126508.3203 64084.0391 67951.8516 103281.7109 52463.4453 91092.7188 47424.8281 30242.4785 34059.3945 66335.1875 88100.1328 61023.3633 105850.0859 67364.3516 66367.0156 79312.4141 139031.3125 138711.0625 138079.9063 45797.2031 51188.7266 172209.9219 132177.9375 183187.0938 95918.1484 95529.6406 106659.0625 83945.2031 90302.0703 156885.8281 174930.7656 92123.2578 121523.3047 92177.5859 82843.5547 53309.7266 36182.5977 41358.9414 36733.7969 88215.9766 65461.4336 47609.3359 98900.2422 83734.6328 81834.2734 56819.918 199605.0781 124121.1172 22501 0 16448 27971 32065 137644 0 0 157543 23549 9241 25079 21443 11695 24072 26143 25476 12611 29724 44236 87784 57381 50686 14389 21724 80544 24682 8090 0 53827 34564 19302 34493 11753 40943 11297 14145 27310 29030 145764 46261 28662 27328 27663 20649 14591 20470 17519 10554 23499 16768 17778 0 45855 14636 62166 10752 11681 13851 24015 33419 49860 0 31071 0 45931 0 14312 35641 32518 35225 77585 0 4651 9625 29450 20318 11001 29723 0 6289 68626 89463 174552 21911 0 0 0 9876 108446 20298 27244 10416 24181 13583 27011 63330 38505 5217 10057 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID 1-linolenoylglycerol 5795 277.2173 53480978 1-linoleoylglycerol (1-monolinolein) 6226 279.23295 5283469 1-linoleoylglycerophosphoethanolamine* 5725 476.27826 52925130 1-linoleoylglycerophosphoinositol* 5487 595.28888 1-linoleoylglycerophosphoserine* 5497.4 520.26809 1-margaroylglycerophosphoethanolamine* 6029 466.29391 1-oleoylglycerol (1-monoolein) 6457 281.2486 5283468 1-oleoylglycerophosphoethanolamine 5928 478.29391 9547071 1-oleoylglycerophosphoglycerol* 5586.8 509.2885 1-oleoylglycerophosphoinositol* 5577 597.30453 1-palmitoylglycerophosphate 5752 409.23606 6419701 C04036 1-palmitoylglycerophosphoethanolamine 5940 452.27826 9547069 1-palmitoylglycerophosphoglycerol* 5549.7 483.2728 3300276 1-palmitoylglycerophosphoinositol* 5573 571.28888 1-stearoylglycerophosphoethanolamine 6200 480.30956 9547068 1-stearoylglycerophosphoglycerol 5826 511.30414 1-stearoylglycerophosphoinositol 5800 599.32018 10-heptadecenoate (17:1n7) 5558 267.23295 5312435 10-nonadecenoate (19:1n9) 5775 295.26425 5312513 12,13-DiHOME 5137 313.23843 10236635 C14829 13-HODE + 9-HODE 5270 295.22786 2-hydroxy-3-methylvalerate 1787 131.07136 164623 2-hydroxypalmitate 5508 271.22786 92836 2-hydroxystearate 5705 299.25917 69417 C03045 2-isopropylmalate 732 175.06119 77 C02504 2-linoleoylglycerol (2-monolinolein) 5988 279.23295 5365676 2-methylcitrate 596 205.03537 439681 C02225 2-oleoylglycerol (2-monoolein) 6364.3 281.2486 5319879 2-palmitoylglycerol (2-monopalmitin) 6112.6 255.23295 123409 2-palmitoylglycerophosphoethanolamine* 5790 452.27826 2-palmitoylglycerophosphoglycerol* 5497 483.2728 3-(4-hydroxyphenyl)lactate 1395 181.05063 9378 C03672 3-hydroxydecanoate 4681 187.13396 26612 3-hydroxyoctanoate 3463 159.10266 26613 3-methyl-2-oxobutyrate 1489 115.04006 49 C00141 3-methyl-2-oxovalerate 2106 129.05571 47 C00671 4-hydroxycinnamate 1474 163.04006 637542 C00811 4-methyl-2-oxopentanoate 2200 129.05571 70 C00233 5-methyluridine (ribothymidine) 1774 257.07791 445408 5-oxoproline 744 128.03531 7405 C01879 8-hydroxyoctanoate 2323 159.10266 69820 9,10-DiHOME 5177 313.23843 9966640 C14828 abscisate 3195 263.12888 5280896 C06082 alpha-hydroxyisocaproate 1854 131.07136 83697 C03264 alpha-hydroxyisovalerate 1142 117.05571 99823 apigenin 3880 269.04554 5280443 C01477 beta-hydroxyisovalerate 1043 117.05572 69362 caproate (6:0) 2766 115.07645 8892 C01585 caprylate (8:0) 4367 143.10775 379 C06423 chrysoeriol 3935.2 299.05611 5280666 C04293 cinnamate 2888 147.04515 444539 C00423 citrate 591 191.01972 311 C00158 cytosine-2,3-cyclic monophosphate 957 304.03401 417654 C02354 dihomo-linoleate (20:2n6) 5722 307.26425 6439848 C16525 dihomo-linolenate (20:3n3 or n6) 5600 305.2486 5280581 C03242 dihydroferulic acid 1929 195.06628 14340 dihydroquercetin 2210 303.05102 471 C12316 docosadienoate (22:2n6) 6017 335.29555 5282807 C16533 eicosenoate (20:1n9 or 11) 5955 309.27982 5282768 ferulate 1810 193.05063 445858 C01494 heptanoate (7:0) 3695 129.0921 8094 C17714 hippurate 2136 178.05096 464 C01586 histidine 757 154.0622 6274 C00135 hypoxanthine 1313 135.03123 790 C00262 inosine 1600 267.07349 6021 C00294 Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate, myo-inositol 1,4 or 1,3-diphosphate 572 338.9888 isovalerate 1623 101.0608 10430 C08262 kaempferol 3-O-beta-glucoside 3085 447.09328 linoleate (18:2n6) 5533 279.23295 5280450 C01595 linolenate [alpha or gamma; (18:3n3 or 6)] 5450 277.2173 5280934 C06427 luteolin 3545 285.04046 5280445 C01514 margarate (17:0) 5733 269.2486 10465 methyl-beta-glucopyranoside 1083 193.07176 2108 N-acetylmethionine 1805 190.05434 448580 C02712 N-acetylmethionine sulfoxide 926 206.0492 193368 N-acetylphenylalanine 2590 206.08226 74839 C03519 N-acetyltaurine 794.2 166.01795 159864 N-acetylthreonine 846 160.06153 152204 C01118 N-acetyltyrosine 1677 222.07718 68310 oleate (18:1n9) 5660 281.2486 445639 C00712 oleic ethanolamide 6553 324.2908 5283454 orotate 768 155.00983 967 C00295 palmitate (16:0) 5619 255.23295 985 C00249 palmitoleate (16:1n7) 5477 253.2173 445638 C08362 palmitoyl ethanolamide 6416 298.27515 4671 C16512 phenyllactate (PLA) 2237 165.05571 3848 C05607 phosphoethanolamine 644 140.01182 1015 C00346 pinoresinol 4167 357.13436 73399 pseudouridine 1104 243.06226 C02067 pyridoxate 2210 182.04588 6723 C00847 pyroglutamylvaline 1755 227.10373 152416 resveratrol 3818 227.07136 445154 C03582 secoisolariciresinol 3987 361.16566 65373 C18167 sinapate 1986 223.06119 637775 C00482 stearate (18:0) 5886 283.26425 5281 C01530 syringic acid 1416 197.04554 10742 C10833 urate 769 167.02106 1175 C00366 uridine 1430 243.06226 6029 C00299 uridine-2,3-cyclic monophosphate 1082 305.01803 4634036 C02355 vanillate 1159 167.03498 8468 C06672 vanillin 2320 151.04006 1183 C00755 METABOLITES_END #END