#METABOLOMICS WORKBENCH chiharu_20220629_173921 DATATRACK_ID:3324 STUDY_ID:ST002212 ANALYSIS_ID:AN003617 PROJECT_ID:PR001413 VERSION 1 CREATED_ON July 12, 2022, 7:22 pm #PROJECT PR:PROJECT_TITLE Human fecal metabolome profiles under 3 different dietary terms PR:PROJECT_SUMMARY The gut microbiota produce numerous metabolites that affect host physiology, PR:PROJECT_SUMMARY although the effects of the daily diet on human intestinal metabolome profiles PR:PROJECT_SUMMARY and robustness are not well understood. Here we investigated the robustness of PR:PROJECT_SUMMARY the human intestinal environment through gut microbiome and metabolome profiles PR:PROJECT_SUMMARY in response to daily dietary fluctuations. We analyzed 176 fecal samples from 25 PR:PROJECT_SUMMARY healthy Japanese individuals under three dietary conditions, including PR:PROJECT_SUMMARY heterogeneous and homogeneous diets. Human intestinal metabolome and microbiome PR:PROJECT_SUMMARY profiles were unique to each individual and were robust under daily dietary PR:PROJECT_SUMMARY fluctuation in most cases. Our findings provide insight into the use of PR:PROJECT_SUMMARY intestinal environment information for clinical studies. PR:INSTITUTE Keio University PR:DEPARTMENT Institute for Advanced Biosciences PR:LAST_NAME Fukuda PR:FIRST_NAME Shinji PR:ADDRESS Kakuganji 246-2, Mizukami, Tsuruoka City Yamagata,Japan PR:EMAIL sfukuda@sfc.keio.ac.jp PR:PHONE +81-235-29-800 #STUDY ST:STUDY_TITLE Human fecal metabolome profiles under 3 different dietary terms ST:STUDY_SUMMARY The gut microbiota produce numerous metabolites that affect host physiology, ST:STUDY_SUMMARY although the effects of the daily diet on human intestinal metabolome profiles ST:STUDY_SUMMARY and robustness are not well understood. Here we investigated the robustness of ST:STUDY_SUMMARY the human intestinal environment through gut microbiome and metabolome profiles ST:STUDY_SUMMARY in response to daily dietary fluctuations. We analyzed 176 fecal samples from 25 ST:STUDY_SUMMARY healthy Japanese individuals under three dietary conditions, including ST:STUDY_SUMMARY heterogeneous and homogeneous diets. Human intestinal metabolome and microbiome ST:STUDY_SUMMARY profiles were unique to each individual and were robust under daily dietary ST:STUDY_SUMMARY fluctuation in most cases. Our findings provide insight into the use of ST:STUDY_SUMMARY intestinal environment information for clinical studies. ST:INSTITUTE Keio University ST:DEPARTMENT Institute for Advanced Biosciences ST:LAST_NAME Fukuda ST:FIRST_NAME Shinji ST:ADDRESS Kakuganji 246-2, Mizukami, Tsuruoka City Yamagata,Japan ST:EMAIL sfukuda@sfc.keio.ac.jp ST:PHONE +81-235-29-800 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS SK01 01A5 Diet_phase:A(Term1) | Timepoint:A5 RAW_FILE_NAME=65.kiff SUBJECT_SAMPLE_FACTORS SK01 01A6 Diet_phase:A(Term1) | Timepoint:A6 RAW_FILE_NAME=157.kiff SUBJECT_SAMPLE_FACTORS SK01 01A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=199.kiff SUBJECT_SAMPLE_FACTORS SK01 01B1 Diet_phase:B(Term2) | Timepoint:B1 RAW_FILE_NAME=140.kiff SUBJECT_SAMPLE_FACTORS SK01 01B5 Diet_phase:B(Term2) | Timepoint:B5 RAW_FILE_NAME=164.kiff SUBJECT_SAMPLE_FACTORS SK01 01B6 Diet_phase:B(Term2) | Timepoint:B6 RAW_FILE_NAME=96.kiff SUBJECT_SAMPLE_FACTORS SK01 01B7 Diet_phase:B(Term2) | Timepoint:B7 RAW_FILE_NAME=202.kiff SUBJECT_SAMPLE_FACTORS SK01 01C1 Diet_phase:C(Term3) | Timepoint:C1 RAW_FILE_NAME=138.kiff SUBJECT_SAMPLE_FACTORS SK01 01C4 Diet_phase:C(Term3) | Timepoint:C4 RAW_FILE_NAME=14.kiff SUBJECT_SAMPLE_FACTORS SK01 01C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=62.kiff SUBJECT_SAMPLE_FACTORS SK01 01C6 Diet_phase:C(Term3) | Timepoint:C6 RAW_FILE_NAME=172.kiff SUBJECT_SAMPLE_FACTORS SK02 02A3 Diet_phase:A(Term1) | Timepoint:A3 RAW_FILE_NAME=188.kiff SUBJECT_SAMPLE_FACTORS SK02 02A6 Diet_phase:A(Term1) | Timepoint:A6 RAW_FILE_NAME=16.kiff SUBJECT_SAMPLE_FACTORS SK02 02B6 Diet_phase:B(Term2) | Timepoint:B6 RAW_FILE_NAME=44.kiff SUBJECT_SAMPLE_FACTORS SK02 02B7 Diet_phase:B(Term2) | Timepoint:B7 RAW_FILE_NAME=183.kiff SUBJECT_SAMPLE_FACTORS SK02 02C4 Diet_phase:C(Term3) | Timepoint:C4 RAW_FILE_NAME=185.kiff SUBJECT_SAMPLE_FACTORS SK02 02C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=53.kiff SUBJECT_SAMPLE_FACTORS SK03 03A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=90.kiff SUBJECT_SAMPLE_FACTORS SK03 03B7 Diet_phase:B(Term2) | Timepoint:B7 RAW_FILE_NAME=112.kiff SUBJECT_SAMPLE_FACTORS SK03 03C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=193.kiff SUBJECT_SAMPLE_FACTORS SK03 03C4 Diet_phase:C(Term3) | Timepoint:C4 RAW_FILE_NAME=105.kiff SUBJECT_SAMPLE_FACTORS SK03 03C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=182.kiff SUBJECT_SAMPLE_FACTORS SK04 04A2 Diet_phase:A(Term1) | Timepoint:A2 RAW_FILE_NAME=184.kiff SUBJECT_SAMPLE_FACTORS SK04 04A3 Diet_phase:A(Term1) | Timepoint:A3 RAW_FILE_NAME=66.kiff SUBJECT_SAMPLE_FACTORS SK04 04A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=104.kiff SUBJECT_SAMPLE_FACTORS SK04 04B2 Diet_phase:B(Term2) | Timepoint:B2 RAW_FILE_NAME=79.kiff SUBJECT_SAMPLE_FACTORS SK04 04B4 Diet_phase:B(Term2) | Timepoint:B4 RAW_FILE_NAME=195.kiff SUBJECT_SAMPLE_FACTORS SK04 04B6 Diet_phase:B(Term2) | Timepoint:B6 RAW_FILE_NAME=118.kiff SUBJECT_SAMPLE_FACTORS SK04 04C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=69.kiff SUBJECT_SAMPLE_FACTORS SK04 04C3-1 Diet_phase:C(Term3) | Timepoint:C3-1 RAW_FILE_NAME=133.kiff SUBJECT_SAMPLE_FACTORS SK04 04C3-2 Diet_phase:C(Term3) | Timepoint:C3-2 RAW_FILE_NAME=163.kiff SUBJECT_SAMPLE_FACTORS SK04 04C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=129.kiff SUBJECT_SAMPLE_FACTORS SK05 05A4 Diet_phase:A(Term1) | Timepoint:A4 RAW_FILE_NAME=179.kiff SUBJECT_SAMPLE_FACTORS SK05 05B2 Diet_phase:B(Term2) | Timepoint:B2 RAW_FILE_NAME=6.kiff SUBJECT_SAMPLE_FACTORS SK05 05B7 Diet_phase:B(Term2) | Timepoint:B7 RAW_FILE_NAME=134.kiff SUBJECT_SAMPLE_FACTORS SK05 05C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=180.kiff SUBJECT_SAMPLE_FACTORS SK05 05C3 Diet_phase:C(Term3) | Timepoint:C3 RAW_FILE_NAME=128.kiff SUBJECT_SAMPLE_FACTORS SK06 06A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=76.kiff SUBJECT_SAMPLE_FACTORS SK06 06B4 Diet_phase:B(Term2) | Timepoint:B4 RAW_FILE_NAME=121.kiff SUBJECT_SAMPLE_FACTORS SK06 06B7 Diet_phase:B(Term2) | Timepoint:B7 RAW_FILE_NAME=158.kiff SUBJECT_SAMPLE_FACTORS SK06 06C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=29.kiff SUBJECT_SAMPLE_FACTORS SK06 06C6 Diet_phase:C(Term3) | Timepoint:C6 RAW_FILE_NAME=100.kiff SUBJECT_SAMPLE_FACTORS SK07 07A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=192.kiff SUBJECT_SAMPLE_FACTORS SK07 07B4 Diet_phase:B(Term2) | Timepoint:B4 RAW_FILE_NAME=170.kiff SUBJECT_SAMPLE_FACTORS SK07 07B6 Diet_phase:B(Term2) | Timepoint:B6 RAW_FILE_NAME=67.kiff SUBJECT_SAMPLE_FACTORS SK07 07C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=83.kiff SUBJECT_SAMPLE_FACTORS SK07 07C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=50.kiff SUBJECT_SAMPLE_FACTORS SK08 08A2 Diet_phase:A(Term1) | Timepoint:A2 RAW_FILE_NAME=206.kiff SUBJECT_SAMPLE_FACTORS SK08 08B3 Diet_phase:B(Term2) | Timepoint:B3 RAW_FILE_NAME=204.kiff SUBJECT_SAMPLE_FACTORS SK08 08B5 Diet_phase:B(Term2) | Timepoint:B5 RAW_FILE_NAME=93.kiff SUBJECT_SAMPLE_FACTORS SK08 08C3 Diet_phase:C(Term3) | Timepoint:C3 RAW_FILE_NAME=178.kiff SUBJECT_SAMPLE_FACTORS SK08 08C4 Diet_phase:C(Term3) | Timepoint:C4 RAW_FILE_NAME=132.kiff SUBJECT_SAMPLE_FACTORS SK09 09A4 Diet_phase:A(Term1) | Timepoint:A4 RAW_FILE_NAME=171.kiff SUBJECT_SAMPLE_FACTORS SK09 09B4 Diet_phase:B(Term2) | Timepoint:B4 RAW_FILE_NAME=39.kiff SUBJECT_SAMPLE_FACTORS SK09 09B7 Diet_phase:B(Term2) | Timepoint:B7 RAW_FILE_NAME=20.kiff SUBJECT_SAMPLE_FACTORS SK09 09C3 Diet_phase:C(Term3) | Timepoint:C3 RAW_FILE_NAME=98.kiff SUBJECT_SAMPLE_FACTORS SK09 09C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=92.kiff SUBJECT_SAMPLE_FACTORS SK10 10A1 Diet_phase:A(Term1) | Timepoint:A1 RAW_FILE_NAME=28.kiff SUBJECT_SAMPLE_FACTORS SK10 10A4 Diet_phase:A(Term1) | Timepoint:A4 RAW_FILE_NAME=73.kiff SUBJECT_SAMPLE_FACTORS SK10 10A6 Diet_phase:A(Term1) | Timepoint:A6 RAW_FILE_NAME=75.kiff SUBJECT_SAMPLE_FACTORS SK10 10B1 Diet_phase:B(Term2) | Timepoint:B1 RAW_FILE_NAME=165.kiff SUBJECT_SAMPLE_FACTORS SK10 10B2 Diet_phase:B(Term2) | Timepoint:B2 RAW_FILE_NAME=187.kiff SUBJECT_SAMPLE_FACTORS SK10 10B4 Diet_phase:B(Term2) | Timepoint:B4 RAW_FILE_NAME=106.kiff SUBJECT_SAMPLE_FACTORS SK10 10B7 Diet_phase:B(Term2) | Timepoint:B7 RAW_FILE_NAME=201.kiff SUBJECT_SAMPLE_FACTORS SK10 10C1 Diet_phase:C(Term3) | Timepoint:C1 RAW_FILE_NAME=54.kiff SUBJECT_SAMPLE_FACTORS SK10 10C3 Diet_phase:C(Term3) | Timepoint:C3 RAW_FILE_NAME=31.kiff SUBJECT_SAMPLE_FACTORS SK10 10C4 Diet_phase:C(Term3) | Timepoint:C4 RAW_FILE_NAME=47.kiff SUBJECT_SAMPLE_FACTORS SK10 10C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=169.kiff SUBJECT_SAMPLE_FACTORS SK11 11A4 Diet_phase:A(Term1) | Timepoint:A4 RAW_FILE_NAME=116.kiff SUBJECT_SAMPLE_FACTORS SK11 11A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=63.kiff SUBJECT_SAMPLE_FACTORS SK11 11B2 Diet_phase:B(Term2) | Timepoint:B2 RAW_FILE_NAME=59.kiff SUBJECT_SAMPLE_FACTORS SK11 11B5 Diet_phase:B(Term2) | Timepoint:B5 RAW_FILE_NAME=122.kiff SUBJECT_SAMPLE_FACTORS SK11 11C3 Diet_phase:C(Term3) | Timepoint:C3 RAW_FILE_NAME=78.kiff SUBJECT_SAMPLE_FACTORS SK14 14A2 Diet_phase:A(Term1) | Timepoint:A2 RAW_FILE_NAME=144.kiff SUBJECT_SAMPLE_FACTORS SK14 14A3 Diet_phase:A(Term1) | Timepoint:A3 RAW_FILE_NAME=154.kiff SUBJECT_SAMPLE_FACTORS SK14 14A4 Diet_phase:A(Term1) | Timepoint:A4 RAW_FILE_NAME=95.kiff SUBJECT_SAMPLE_FACTORS SK14 14A5 Diet_phase:A(Term1) | Timepoint:A5 RAW_FILE_NAME=115.kiff SUBJECT_SAMPLE_FACTORS SK14 14A6 Diet_phase:A(Term1) | Timepoint:A6 RAW_FILE_NAME=81.kiff SUBJECT_SAMPLE_FACTORS SK14 14B1 Diet_phase:B(Term2) | Timepoint:B1 RAW_FILE_NAME=148.kiff SUBJECT_SAMPLE_FACTORS SK14 14B2 Diet_phase:B(Term2) | Timepoint:B2 RAW_FILE_NAME=126.kiff SUBJECT_SAMPLE_FACTORS SK14 14B3 Diet_phase:B(Term2) | Timepoint:B3 RAW_FILE_NAME=42.kiff SUBJECT_SAMPLE_FACTORS SK14 14B4 Diet_phase:B(Term2) | Timepoint:B4 RAW_FILE_NAME=174.kiff SUBJECT_SAMPLE_FACTORS SK14 14B5 Diet_phase:B(Term2) | Timepoint:B5 RAW_FILE_NAME=57.kiff SUBJECT_SAMPLE_FACTORS SK14 14C1 Diet_phase:C(Term3) | Timepoint:C1 RAW_FILE_NAME=5.kiff SUBJECT_SAMPLE_FACTORS SK14 14C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=55.kiff SUBJECT_SAMPLE_FACTORS SK14 14C3 Diet_phase:C(Term3) | Timepoint:C3 RAW_FILE_NAME=94.kiff SUBJECT_SAMPLE_FACTORS SK14 14C4 Diet_phase:C(Term3) | Timepoint:C4 RAW_FILE_NAME=91.kiff SUBJECT_SAMPLE_FACTORS SK14 14C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=21.kiff SUBJECT_SAMPLE_FACTORS SK15 15A3 Diet_phase:A(Term1) | Timepoint:A3 RAW_FILE_NAME=8.kiff SUBJECT_SAMPLE_FACTORS SK15 15A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=189.kiff SUBJECT_SAMPLE_FACTORS SK15 15B3 Diet_phase:B(Term2) | Timepoint:B3 RAW_FILE_NAME=102.kiff SUBJECT_SAMPLE_FACTORS SK15 15B7 Diet_phase:B(Term2) | Timepoint:B7 RAW_FILE_NAME=17.kiff SUBJECT_SAMPLE_FACTORS SK15 15C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=30.kiff SUBJECT_SAMPLE_FACTORS SK15 15C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=23.kiff SUBJECT_SAMPLE_FACTORS SK16 16A5 Diet_phase:A(Term1) | Timepoint:A5 RAW_FILE_NAME=12.kiff SUBJECT_SAMPLE_FACTORS SK16 16A6 Diet_phase:A(Term1) | Timepoint:A6 RAW_FILE_NAME=38.kiff SUBJECT_SAMPLE_FACTORS SK16 16B1 Diet_phase:B(Term2) | Timepoint:B1 RAW_FILE_NAME=119.kiff SUBJECT_SAMPLE_FACTORS SK16 16B3 Diet_phase:B(Term2) | Timepoint:B3 RAW_FILE_NAME=71.kiff SUBJECT_SAMPLE_FACTORS SK16 16C1 Diet_phase:C(Term3) | Timepoint:C1 RAW_FILE_NAME=33.kiff SUBJECT_SAMPLE_FACTORS SK16 16C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=85.kiff SUBJECT_SAMPLE_FACTORS SK18 18A2 Diet_phase:A(Term1) | Timepoint:A2 RAW_FILE_NAME=64.kiff SUBJECT_SAMPLE_FACTORS SK18 18B1 Diet_phase:B(Term2) | Timepoint:B1 RAW_FILE_NAME=110.kiff SUBJECT_SAMPLE_FACTORS SK18 18C1 Diet_phase:C(Term3) | Timepoint:C1 RAW_FILE_NAME=15.kiff SUBJECT_SAMPLE_FACTORS SK18 18C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=9.kiff SUBJECT_SAMPLE_FACTORS SK20 20A2 Diet_phase:A(Term1) | Timepoint:A2 RAW_FILE_NAME=141.kiff SUBJECT_SAMPLE_FACTORS SK20 20A3 Diet_phase:A(Term1) | Timepoint:A3 RAW_FILE_NAME=84.kiff SUBJECT_SAMPLE_FACTORS SK20 20A5-1 Diet_phase:A(Term1) | Timepoint:A5-1 RAW_FILE_NAME=194.kiff SUBJECT_SAMPLE_FACTORS SK20 20A5-2 Diet_phase:A(Term1) | Timepoint:A5-2 RAW_FILE_NAME=176.kiff SUBJECT_SAMPLE_FACTORS SK20 20A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=167.kiff SUBJECT_SAMPLE_FACTORS SK20 20B2 Diet_phase:B(Term2) | Timepoint:B2 RAW_FILE_NAME=1.kiff SUBJECT_SAMPLE_FACTORS SK20 20B4 Diet_phase:B(Term2) | Timepoint:B4 RAW_FILE_NAME=2.kiff SUBJECT_SAMPLE_FACTORS SK20 20B6-1 Diet_phase:B(Term2) | Timepoint:B6-1 RAW_FILE_NAME=146.kiff SUBJECT_SAMPLE_FACTORS SK20 20B6-2 Diet_phase:B(Term2) | Timepoint:B6-2 RAW_FILE_NAME=107.kiff SUBJECT_SAMPLE_FACTORS SK20 20B7 Diet_phase:B(Term2) | Timepoint:B7 RAW_FILE_NAME=130.kiff SUBJECT_SAMPLE_FACTORS SK20 20C0 Diet_phase:C(Term3) | Timepoint:C0 RAW_FILE_NAME=87.kiff SUBJECT_SAMPLE_FACTORS SK20 20C1 Diet_phase:C(Term3) | Timepoint:C1 RAW_FILE_NAME=56.kiff SUBJECT_SAMPLE_FACTORS SK20 20C4 Diet_phase:C(Term3) | Timepoint:C4 RAW_FILE_NAME=89.kiff SUBJECT_SAMPLE_FACTORS SK21 21A1 Diet_phase:A(Term1) | Timepoint:A1 RAW_FILE_NAME=3.kiff SUBJECT_SAMPLE_FACTORS SK21 21A3 Diet_phase:A(Term1) | Timepoint:A3 RAW_FILE_NAME=160.kiff SUBJECT_SAMPLE_FACTORS SK21 21B2 Diet_phase:B(Term2) | Timepoint:B2 RAW_FILE_NAME=177.kiff SUBJECT_SAMPLE_FACTORS SK21 21B6 Diet_phase:B(Term2) | Timepoint:B6 RAW_FILE_NAME=166.kiff SUBJECT_SAMPLE_FACTORS SK21 21C1 Diet_phase:C(Term3) | Timepoint:C1 RAW_FILE_NAME=191.kiff SUBJECT_SAMPLE_FACTORS SK21 21C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=97.kiff SUBJECT_SAMPLE_FACTORS SK22 22A4 Diet_phase:A(Term1) | Timepoint:A4 RAW_FILE_NAME=61.kiff SUBJECT_SAMPLE_FACTORS SK22 22A5 Diet_phase:A(Term1) | Timepoint:A5 RAW_FILE_NAME=7.kiff SUBJECT_SAMPLE_FACTORS SK22 22B1 Diet_phase:B(Term2) | Timepoint:B1 RAW_FILE_NAME=25.kiff SUBJECT_SAMPLE_FACTORS SK22 22B3 Diet_phase:B(Term2) | Timepoint:B3 RAW_FILE_NAME=153.kiff SUBJECT_SAMPLE_FACTORS SK22 22B4 Diet_phase:B(Term2) | Timepoint:B4 RAW_FILE_NAME=155.kiff SUBJECT_SAMPLE_FACTORS SK22 22C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=101.kiff SUBJECT_SAMPLE_FACTORS SK22 22C3-1 Diet_phase:C(Term3) | Timepoint:C3-1 RAW_FILE_NAME=142.kiff SUBJECT_SAMPLE_FACTORS SK22 22C3-2 Diet_phase:C(Term3) | Timepoint:C3-2 RAW_FILE_NAME=156.kiff SUBJECT_SAMPLE_FACTORS SK23 23A2 Diet_phase:A(Term1) | Timepoint:A2 RAW_FILE_NAME=139.kiff SUBJECT_SAMPLE_FACTORS SK23 23B1 Diet_phase:B(Term2) | Timepoint:B1 RAW_FILE_NAME=19.kiff SUBJECT_SAMPLE_FACTORS SK23 23C1 Diet_phase:C(Term3) | Timepoint:C1 RAW_FILE_NAME=120.kiff SUBJECT_SAMPLE_FACTORS SK24 24A1 Diet_phase:A(Term1) | Timepoint:A1 RAW_FILE_NAME=124.kiff SUBJECT_SAMPLE_FACTORS SK24 24A2 Diet_phase:A(Term1) | Timepoint:A2 RAW_FILE_NAME=168.kiff SUBJECT_SAMPLE_FACTORS SK24 24A4 Diet_phase:A(Term1) | Timepoint:A4 RAW_FILE_NAME=151.kiff SUBJECT_SAMPLE_FACTORS SK24 24A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=113.kiff SUBJECT_SAMPLE_FACTORS SK24 24B1 Diet_phase:B(Term2) | Timepoint:B1 RAW_FILE_NAME=18.kiff SUBJECT_SAMPLE_FACTORS SK24 24B2 Diet_phase:B(Term2) | Timepoint:B2 RAW_FILE_NAME=173.kiff SUBJECT_SAMPLE_FACTORS SK24 24B4 Diet_phase:B(Term2) | Timepoint:B4 RAW_FILE_NAME=137.kiff SUBJECT_SAMPLE_FACTORS SK24 24B6 Diet_phase:B(Term2) | Timepoint:B6 RAW_FILE_NAME=32.kiff SUBJECT_SAMPLE_FACTORS SK24 24C1 Diet_phase:C(Term3) | Timepoint:C1 RAW_FILE_NAME=72.kiff SUBJECT_SAMPLE_FACTORS SK24 24C3 Diet_phase:C(Term3) | Timepoint:C3 RAW_FILE_NAME=45.kiff SUBJECT_SAMPLE_FACTORS SK24 24C4 Diet_phase:C(Term3) | Timepoint:C4 RAW_FILE_NAME=46.kiff SUBJECT_SAMPLE_FACTORS SK24 24C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=80.kiff SUBJECT_SAMPLE_FACTORS SK26 26A6 Diet_phase:A(Term1) | Timepoint:A6 RAW_FILE_NAME=145.kiff SUBJECT_SAMPLE_FACTORS SK26 26B5 Diet_phase:B(Term2) | Timepoint:B5 RAW_FILE_NAME=4.kiff SUBJECT_SAMPLE_FACTORS SK26 26C3 Diet_phase:C(Term3) | Timepoint:C3 RAW_FILE_NAME=11.kiff SUBJECT_SAMPLE_FACTORS SK27 27A4 Diet_phase:A(Term1) | Timepoint:A4 RAW_FILE_NAME=135.kiff SUBJECT_SAMPLE_FACTORS SK27 27B5 Diet_phase:B(Term2) | Timepoint:B5 RAW_FILE_NAME=27.kiff SUBJECT_SAMPLE_FACTORS SK27 27C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=82.kiff SUBJECT_SAMPLE_FACTORS SK28 28A6 Diet_phase:A(Term1) | Timepoint:A6 RAW_FILE_NAME=34.kiff SUBJECT_SAMPLE_FACTORS SK28 28A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=123.kiff SUBJECT_SAMPLE_FACTORS SK28 28B2 Diet_phase:B(Term2) | Timepoint:B2 RAW_FILE_NAME=127.kiff SUBJECT_SAMPLE_FACTORS SK18 28B4 Diet_phase:B(Term2) | Timepoint:B4 RAW_FILE_NAME=147.kiff SUBJECT_SAMPLE_FACTORS SK28 28C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=111.kiff SUBJECT_SAMPLE_FACTORS SK28 28C3 Diet_phase:C(Term3) | Timepoint:C3 RAW_FILE_NAME=150.kiff SUBJECT_SAMPLE_FACTORS SK30 30A2 Diet_phase:A(Term1) | Timepoint:A2 RAW_FILE_NAME=86.kiff SUBJECT_SAMPLE_FACTORS SK30 30A3 Diet_phase:A(Term1) | Timepoint:A3 RAW_FILE_NAME=109.kiff SUBJECT_SAMPLE_FACTORS SK30 30A5 Diet_phase:A(Term1) | Timepoint:A5 RAW_FILE_NAME=48.kiff SUBJECT_SAMPLE_FACTORS SK30 30A7 Diet_phase:A(Term1) | Timepoint:A7 RAW_FILE_NAME=58.kiff SUBJECT_SAMPLE_FACTORS SK30 30B1 Diet_phase:B(Term2) | Timepoint:B1 RAW_FILE_NAME=22.kiff SUBJECT_SAMPLE_FACTORS SK30 30B5 Diet_phase:B(Term2) | Timepoint:B5 RAW_FILE_NAME=37.kiff SUBJECT_SAMPLE_FACTORS SK30 30B6 Diet_phase:B(Term2) | Timepoint:B6 RAW_FILE_NAME=51.kiff SUBJECT_SAMPLE_FACTORS SK30 30C1 Diet_phase:C(Term3) | Timepoint:C1 RAW_FILE_NAME=70.kiff SUBJECT_SAMPLE_FACTORS SK30 30C2 Diet_phase:C(Term3) | Timepoint:C2 RAW_FILE_NAME=159.kiff SUBJECT_SAMPLE_FACTORS SK32 32A2 Diet_phase:A(Term1) | Timepoint:A2 RAW_FILE_NAME=162.kiff SUBJECT_SAMPLE_FACTORS SK32 32A3 Diet_phase:A(Term1) | Timepoint:A3 RAW_FILE_NAME=117.kiff SUBJECT_SAMPLE_FACTORS SK32 32A5 Diet_phase:A(Term1) | Timepoint:A5 RAW_FILE_NAME=49.kiff SUBJECT_SAMPLE_FACTORS SK32 32B1 Diet_phase:B(Term2) | Timepoint:B1 RAW_FILE_NAME=200.kiff SUBJECT_SAMPLE_FACTORS SK32 32B2 Diet_phase:B(Term2) | Timepoint:B2 RAW_FILE_NAME=143.kiff SUBJECT_SAMPLE_FACTORS SK32 32B5 Diet_phase:B(Term2) | Timepoint:B5 RAW_FILE_NAME=24.kiff SUBJECT_SAMPLE_FACTORS SK32 32C3 Diet_phase:C(Term3) | Timepoint:C3 RAW_FILE_NAME=74.kiff SUBJECT_SAMPLE_FACTORS SK32 32C4 Diet_phase:C(Term3) | Timepoint:C4 RAW_FILE_NAME=60.kiff SUBJECT_SAMPLE_FACTORS SK32 32C5 Diet_phase:C(Term3) | Timepoint:C5 RAW_FILE_NAME=196.kiff #COLLECTION CO:COLLECTION_SUMMARY Human fecal metabolome profiles under 3 different dietary terms. During the CO:COLLECTION_SUMMARY first phase (term 1), there was no restriction on diet, but consumption of CO:COLLECTION_SUMMARY medicinal drugs and dietary supplements were prohibited. In the second phase CO:COLLECTION_SUMMARY (term 2), subjects ate provided meals. The menus of meals were different every CO:COLLECTION_SUMMARY time. For the last phase (term 3), subjects continuously ate an identical meal CO:COLLECTION_SUMMARY 15 times, three times a day over 5 days. Commercially available box meals, CO:COLLECTION_SUMMARY frozen foods, fruits, sandwiches, rice balls, retort foods were provided in term CO:COLLECTION_SUMMARY 2 and 3. Throughout the trial, subjects collected their feces and froze them as CO:COLLECTION_SUMMARY soon as they could. After which, the frozen fecal samples were shipped frozen to CO:COLLECTION_SUMMARY the Institute for Advanced Biosciences, Keio University, Yamagata, Japan, for CO:COLLECTION_SUMMARY metabolome and metagenome analysis. CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY Human fecal metabolome profiles under 3 different dietary terms. During the TR:TREATMENT_SUMMARY first phase (term 1), there was no restriction on diet, but consumption of TR:TREATMENT_SUMMARY medicinal drugs and dietary supplements were prohibited. In the second phase TR:TREATMENT_SUMMARY (term 2), subjects ate provided meals. The menus of meals were different every TR:TREATMENT_SUMMARY time. For the last phase (term 3), subjects continuously ate an identical meal TR:TREATMENT_SUMMARY 15 times, three times a day over 5 days. Commercially available box meals, TR:TREATMENT_SUMMARY frozen foods, fruits, sandwiches, rice balls, retort foods were provided in term TR:TREATMENT_SUMMARY 2 and 3. Throughout the trial, subjects collected their feces and froze them as TR:TREATMENT_SUMMARY soon as they could. After which, the frozen fecal samples were shipped frozen to TR:TREATMENT_SUMMARY the Institute for Advanced Biosciences, Keio University, Yamagata, Japan, for TR:TREATMENT_SUMMARY metabolome and metagenome analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Fecal samples were freeze-dried, and then metabolites were extracted using the SP:SAMPLEPREP_SUMMARY methanol:chloroform:water extraction protocol. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE CE CH:INSTRUMENT_NAME Agilent CE CH:COLUMN_NAME COSMO(+), i.d.50 μm(anion CH:INTERNAL_STANDARD D-camphor-10-sulfonic acid #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent CE-TOFMS MS:INSTRUMENT_TYPE Other MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS In-house software (MasterHands) was used for peak area integration and MS:MS_COMMENTS annotation. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS μmol/g MS_METABOLITE_DATA_START Samples 01A5 01A6 01A7 01B1 01B5 01B6 01B7 01C1 01C4 01C5 01C6 02A3 02A6 02B6 02B7 02C4 02C5 03A7 03B7 03C2 03C4 03C5 04A2 04A3 04A7 04B2 04B4 04B6 04C2 04C3-1 04C3-2 04C5 05A4 05B2 05B7 05C2 05C3 06A7 06B4 06B7 06C2 06C6 07A7 07B4 07B6 07C2 07C5 08A2 08B3 08B5 08C3 08C4 09A4 09B4 09B7 09C3 09C5 10A1 10A4 10A6 10B1 10B2 10B4 10B7 10C1 10C3 10C4 10C5 11A4 11A7 11B2 11B5 11C3 14A2 14A3 14A4 14A5 14A6 14B1 14B2 14B3 14B4 14B5 14C1 14C2 14C3 14C4 14C5 15A3 15A7 15B3 15B7 15C2 15C5 16A5 16A6 16B1 16B3 16C1 16C2 18A2 18B1 18C1 18C2 20A2 20A3 20A5-1 20A5-2 20A7 20B2 20B4 20B6-1 20B6-2 20B7 20C0 20C1 20C4 21A1 21A3 21B2 21B6 21C1 21C2 22A4 22A5 22B1 22B3 22B4 22C2 22C3-1 22C3-2 23A2 23B1 23C1 24A1 24A2 24A4 24A7 24B1 24B2 24B4 24B6 24C1 24C3 24C4 24C5 26A6 26B5 26C3 27A4 27B5 27C2 28A6 28A7 28B2 28B4 28C2 28C3 30A2 30A3 30A5 30A7 30B1 30B5 30B6 30C1 30C2 32A2 32A3 32A5 32B1 32B2 32B5 32C3 32C4 32C5 Factors Diet_phase:A(Term1) | Timepoint:A5 Diet_phase:A(Term1) | Timepoint:A6 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B1 Diet_phase:B(Term2) | Timepoint:B5 Diet_phase:B(Term2) | Timepoint:B6 Diet_phase:B(Term2) | Timepoint:B7 Diet_phase:C(Term3) | Timepoint:C1 Diet_phase:C(Term3) | Timepoint:C4 Diet_phase:C(Term3) | Timepoint:C5 Diet_phase:C(Term3) | Timepoint:C6 Diet_phase:A(Term1) | Timepoint:A3 Diet_phase:A(Term1) | Timepoint:A6 Diet_phase:B(Term2) | Timepoint:B6 Diet_phase:B(Term2) | Timepoint:B7 Diet_phase:C(Term3) | Timepoint:C4 Diet_phase:C(Term3) | Timepoint:C5 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B7 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:C(Term3) | Timepoint:C4 Diet_phase:C(Term3) | Timepoint:C5 Diet_phase:A(Term1) | Timepoint:A2 Diet_phase:A(Term1) | Timepoint:A3 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B2 Diet_phase:B(Term2) | Timepoint:B4 Diet_phase:B(Term2) | Timepoint:B6 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:C(Term3) | Timepoint:C3-1 Diet_phase:C(Term3) | Timepoint:C3-2 Diet_phase:C(Term3) | Timepoint:C5 Diet_phase:A(Term1) | Timepoint:A4 Diet_phase:B(Term2) | Timepoint:B2 Diet_phase:B(Term2) | Timepoint:B7 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:C(Term3) | Timepoint:C3 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B4 Diet_phase:B(Term2) | Timepoint:B7 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:C(Term3) | Timepoint:C6 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B4 Diet_phase:B(Term2) | Timepoint:B6 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:C(Term3) | Timepoint:C5 Diet_phase:A(Term1) | Timepoint:A2 Diet_phase:B(Term2) | Timepoint:B3 Diet_phase:B(Term2) | Timepoint:B5 Diet_phase:C(Term3) | Timepoint:C3 Diet_phase:C(Term3) | Timepoint:C4 Diet_phase:A(Term1) | Timepoint:A4 Diet_phase:B(Term2) | Timepoint:B4 Diet_phase:B(Term2) | Timepoint:B7 Diet_phase:C(Term3) | Timepoint:C3 Diet_phase:C(Term3) | Timepoint:C5 Diet_phase:A(Term1) | Timepoint:A1 Diet_phase:A(Term1) | Timepoint:A4 Diet_phase:A(Term1) | Timepoint:A6 Diet_phase:B(Term2) | Timepoint:B1 Diet_phase:B(Term2) | Timepoint:B2 Diet_phase:B(Term2) | Timepoint:B4 Diet_phase:B(Term2) | Timepoint:B7 Diet_phase:C(Term3) | Timepoint:C1 Diet_phase:C(Term3) | Timepoint:C3 Diet_phase:C(Term3) | Timepoint:C4 Diet_phase:C(Term3) | Timepoint:C5 Diet_phase:A(Term1) | Timepoint:A4 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B2 Diet_phase:B(Term2) | Timepoint:B5 Diet_phase:C(Term3) | Timepoint:C3 Diet_phase:A(Term1) | Timepoint:A2 Diet_phase:A(Term1) | Timepoint:A3 Diet_phase:A(Term1) | Timepoint:A4 Diet_phase:A(Term1) | Timepoint:A5 Diet_phase:A(Term1) | Timepoint:A6 Diet_phase:B(Term2) | Timepoint:B1 Diet_phase:B(Term2) | Timepoint:B2 Diet_phase:B(Term2) | Timepoint:B3 Diet_phase:B(Term2) | Timepoint:B4 Diet_phase:B(Term2) | Timepoint:B5 Diet_phase:C(Term3) | Timepoint:C1 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:C(Term3) | Timepoint:C3 Diet_phase:C(Term3) | Timepoint:C4 Diet_phase:C(Term3) | Timepoint:C5 Diet_phase:A(Term1) | Timepoint:A3 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B3 Diet_phase:B(Term2) | Timepoint:B7 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:C(Term3) | Timepoint:C5 Diet_phase:A(Term1) | Timepoint:A5 Diet_phase:A(Term1) | Timepoint:A6 Diet_phase:B(Term2) | Timepoint:B1 Diet_phase:B(Term2) | Timepoint:B3 Diet_phase:C(Term3) | Timepoint:C1 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:A(Term1) | Timepoint:A2 Diet_phase:B(Term2) | Timepoint:B1 Diet_phase:C(Term3) | Timepoint:C1 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:A(Term1) | Timepoint:A2 Diet_phase:A(Term1) | Timepoint:A3 Diet_phase:A(Term1) | Timepoint:A5-1 Diet_phase:A(Term1) | Timepoint:A5-2 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B2 Diet_phase:B(Term2) | Timepoint:B4 Diet_phase:B(Term2) | Timepoint:B6-1 Diet_phase:B(Term2) | Timepoint:B6-2 Diet_phase:B(Term2) | Timepoint:B7 Diet_phase:C(Term3) | Timepoint:C0 Diet_phase:C(Term3) | Timepoint:C1 Diet_phase:C(Term3) | Timepoint:C4 Diet_phase:A(Term1) | Timepoint:A1 Diet_phase:A(Term1) | Timepoint:A3 Diet_phase:B(Term2) | Timepoint:B2 Diet_phase:B(Term2) | Timepoint:B6 Diet_phase:C(Term3) | Timepoint:C1 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:A(Term1) | Timepoint:A4 Diet_phase:A(Term1) | Timepoint:A5 Diet_phase:B(Term2) | Timepoint:B1 Diet_phase:B(Term2) | Timepoint:B3 Diet_phase:B(Term2) | Timepoint:B4 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:C(Term3) | Timepoint:C3-1 Diet_phase:C(Term3) | Timepoint:C3-2 Diet_phase:A(Term1) | Timepoint:A2 Diet_phase:B(Term2) | Timepoint:B1 Diet_phase:C(Term3) | Timepoint:C1 Diet_phase:A(Term1) | Timepoint:A1 Diet_phase:A(Term1) | Timepoint:A2 Diet_phase:A(Term1) | Timepoint:A4 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B1 Diet_phase:B(Term2) | Timepoint:B2 Diet_phase:B(Term2) | Timepoint:B4 Diet_phase:B(Term2) | Timepoint:B6 Diet_phase:C(Term3) | Timepoint:C1 Diet_phase:C(Term3) | Timepoint:C3 Diet_phase:C(Term3) | Timepoint:C4 Diet_phase:C(Term3) | Timepoint:C5 Diet_phase:A(Term1) | Timepoint:A6 Diet_phase:B(Term2) | Timepoint:B5 Diet_phase:C(Term3) | Timepoint:C3 Diet_phase:A(Term1) | Timepoint:A4 Diet_phase:B(Term2) | Timepoint:B5 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:A(Term1) | Timepoint:A6 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B2 Diet_phase:B(Term2) | Timepoint:B4 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:C(Term3) | Timepoint:C3 Diet_phase:A(Term1) | Timepoint:A2 Diet_phase:A(Term1) | Timepoint:A3 Diet_phase:A(Term1) | Timepoint:A5 Diet_phase:A(Term1) | Timepoint:A7 Diet_phase:B(Term2) | Timepoint:B1 Diet_phase:B(Term2) | Timepoint:B5 Diet_phase:B(Term2) | Timepoint:B6 Diet_phase:C(Term3) | Timepoint:C1 Diet_phase:C(Term3) | Timepoint:C2 Diet_phase:A(Term1) | Timepoint:A2 Diet_phase:A(Term1) | Timepoint:A3 Diet_phase:A(Term1) | Timepoint:A5 Diet_phase:B(Term2) | Timepoint:B1 Diet_phase:B(Term2) | Timepoint:B2 Diet_phase:B(Term2) | Timepoint:B5 Diet_phase:C(Term3) | Timepoint:C3 Diet_phase:C(Term3) | Timepoint:C4 Diet_phase:C(Term3) | Timepoint:C5 N-Acetylphenylalanine 0.009863849 0.044681048 0 0 0 0 0 0.002808409 0.015560149 0.003404838 0 0 0 0 0 0 0 0 0 0 0 0 0 0.056200115 0.015249339 0.041881252 0 0.014589216 0.019473242 0.025309581 0.033309859 0.037918527 0 0.015324185 0 0.021308861 0.012040856 0 0 0.019446287 0.006716839 0 0 0 0 0 0.030011493 0 0 0 0 0 0.049352338 0.002345949 0.003810535 0.026549957 0.044308832 0.034449494 0.055777207 0 0.071833529 0.029592711 0 0.035863515 0 0.011721657 0.014384525 0 0 0.014845188 0 0 0 0 0 0 0 0 0 0.007545085 0.008658593 0 0.027395689 0.017758816 0 0 0 0 0 0 0 0.014365982 0.004627406 0.02775356 0 0.010937329 0 0 0 0 0 0 0.007434656 0.022583484 0 0.014826715 0.024370237 0 0.030123455 0.010312222 0 0 0.003525026 0 0.009799062 0 0 0.027465372 0 0 0 0 0.007526544 0.006367418 0.009828199 0 0 0 0 0 0 0 0.004388925 0 0 0.02449181 0.052017489 0.030895998 0 0 0 0.033954736 0.025082961 0 0 0 0.008430803 0.01947207 0 0 0 0 0.092284067 0.05577233 0.073623653 0.050822143 0.041862043 0 0 0 0 0.041197999 0 0 0.025072805 0 0 0.046055645 0.03072791 0 0.065549301 0 0.033546912 0 0 0 UDP-glucose 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 0.023762701 0 0 0 0 0 0 0 0 0 0 0 0 0.033646735 0 0 0 0 0 0 0.035923242 0 0 0 0 0 0 0 0 0 0 0.067626782 0 0.099328539 0.078458832 0 0 0 0 0.17475436 0.092834132 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 0.050610246 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 0.050415217 0 0 0 0 0 0 0 0 0 0 0.083707572 0 0 0 0 0 0 0 0.024409781 0 0 0 0 0 0 0.160335286 0 0 0 0 0 0 0 0 0 0 0 0 0 0 UDP-glucuronate 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 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 0.013481361 0.016249071 0.038061121 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.017033504 0 0 0 0 0 0 0 0 0 0 0 0 0 0 UDP-N-acetylglucosamine 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 0.050556519 0 0 0 0.069968703 0 0 0 0 0 0 0 0 0 0 0.120968218 0.070978491 0.067238499 0.090896448 0.093688447 0 0 0 0.094555018 0.081891246 0 0 0 0 0 0 0.037465894 0 0 0 0 0 0 0 0 0.071485362 0 0 0 0 0 0 0 0 0 0 0.075077042 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.07182647 0 0 0 0 0.053073625 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 0.033327937 0 0 0 0.053899583 0.10613173 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.091702324 0 0 0.060580696 0 0 0.045733227 0 0 0.049186146 0 0 0 0 0 UDP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.009984087 0 0 0 0.023927687 0.016803679 0 0.025801423 0 0 0.021338089 0 0 0 0 0.049427702 0 0.008386023 0 0 0 0 0 0 0 0 0 0 0 0 0.024021077 0 0 0 0 0 0 0 0 0 0 0.011340724 0 0 0.02264699 0 0 0.020646386 0.00926599 0.01350747 0.022179349 0 0 0 0 0 0.031483492 0 0 0 0 0 0 0 0.009338201 0 0.021892054 0.016920733 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.022553216 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.012761355 0 0.040874897 0 0 0 0 0 0 0.011593815 0 0 0.010396363 0 0 0 0.035461233 0.033112777 0 0 0 0 0 0.021864804 0 0.030246611 0.033981127 0.046666507 0.018461115 0 0 0 0.010312012 0 0 0 0 0 0 0 0 0 0 0.029313025 0.021083662 0.015439061 0 0 0 0.016051055 0 0.010800563 0.022753703 0 0.021457776 0.023619532 0.01890581 0.016992234 UMP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.075800761 0.024235316 0 0 0 0 0.158921841 0.053064983 0 0.078264796 0 0 0.063294011 0 0 0 0 0.090045379 0.052887501 0.038942104 0 0 0 0.040436422 0 0.029960814 0.022996083 0.055151804 0 0 0 0.022154958 0.104629082 0 0 0 0 0 0 0 0.049485454 0.037200966 0 0.069153182 0.050502651 0.049839434 0.068248212 0.058288628 0.07018919 0.072575454 0.039419888 0.084673871 0.123437187 0.064125673 0 0 0 0.04204104 0.082890055 0.083483443 0 0 0.047980411 0 0 0 0 0 0.09871318 0.088572126 0 0.029337736 0 0 0 0 0.114632078 0 0.020769237 0.081648537 0.038319244 0 0 0 0 0 0 0 0.050560906 0 0 0.084587062 0.039299094 0 0.100104989 0 0 0 0.028043956 0.106445125 0 0.058441633 0 0.038324624 0.040907419 0 0.033603068 0.050724897 0 0 0 0.018940192 0 0 0.041089882 0 0 0 0 0.014376169 0.150350639 0.146866062 0.071619982 0.139237049 0 0.05242352 0.146447457 0.155011284 0.153533133 0.116971348 0.176932584 0.058347153 0.065106685 0.02767837 0.025927461 0 0.056405008 0 0 0 0 0 0 0 0 0 0 0.141325276 0.06725577 0.054720563 0.048319141 0.048856176 0.05560166 0.041249491 0.147824201 0.066224823 0.075406391 0 0.054128947 0 0.060775729 0 3-Ureidopropionate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.271436671 0 0.273625999 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.517841319 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.270855739 0 0 0 0 0 0.172324544 0 0 0 0 0 0 0 0 0 0 0 0.189606222 0 0 0 0.247209037 0 0.26161655 0 0 0 0 0 0 0 0 0 0 Undecanoate 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 0.031402536 0.01970863 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.008758759 0 0 0 0 0 0 0 0 0 0 0 0 0.010456811 0 0 0 0 0 0 0 0.008045444 0 0 0 0 0 0 0 0 0 0 0 0 0 0.013278019 0 0 0 0 0 0 0 0 0.0141477 0 0 0 0 0 0.019908778 0.015525232 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 Urate 0.235929694 0 5.409922956 0.289022179 2.345267678 0 0 0.337031763 0.992208222 1.348761097 0.39505561 0.103925455 0.085105928 0.112170618 0 0.118565224 0.066257734 0.131334222 0.122201928 0.069626602 0.103499399 0.224958662 0.045269657 0 0 0 0.050599348 0.144923415 0.352670788 0 0.15028832 0 0.057554226 0.638632677 0.366384371 0.143298326 0 0.548968292 0.059398282 0 0 0.113415178 0.04303969 0.06685578 0.15518892 0 0.046432008 0.228133009 0.086901329 0.110571534 0.197484376 0.064562745 0.203268894 0.11479488 0 0.386832566 0 0.056028465 0 0 0 0 0 0 0.091438602 1.132317747 0.081062443 0.023192343 0.196265656 0.277116971 0.366216331 0.154851005 0.344588154 0.091243594 0 0 0 0 0 0.09319815 0 0.074787948 0 0.159318617 0 0.283734562 0.41785073 0.077234714 0 0.039258267 0 0.276557803 0 0.060288295 0 0.125939805 0 0 0 0 0.091168798 0.067654074 0 0 0 0.095264684 0 0.861338774 0.222788597 0 0 0 0 0 0.166875082 0.061172836 0.078957799 0 0 0.114353373 0 0 0.227214475 0 0 0.06880946 0 0.08239508 0.031280408 0.287217869 0.113761939 0.255563863 0.193906464 0 0.28926171 0 0.287314917 0.178188703 0.070436854 0.091743302 0 0.082642658 0 0.037178357 0.020962943 0 0 0.081926838 0.078731444 0.329103414 0.078974108 0.051126768 0 0 0 0 0.221983032 0 0.089291314 0.253341251 0 0 0.078950717 0 0.064832951 0 0 0 0 0.068231407 0.148606561 0.1925671 0.143616055 0 0.075849387 0 Xanthurenate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.018666492 0.025755429 0.017768378 0 0.01742837 0.032952518 0 0.048600479 0.036515699 0.02545908 0.049292443 0.017560675 0.029053657 0 0 0 0 0 0 0 0 0 0.027695153 0 0 0 0 0 0 0 0 0 0 0 0 0.125264202 0.015273027 0.020118717 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 0.021811876 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.029649756 0.014685779 0.037983139 0.025230695 0 0 0 0.028890728 0.020495931 0 0 0 0.024779338 0.015499536 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.022515808 0 0 0 0.02046414 0 0 0 0.014141647 0 0 0 0 0 0.020770905 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.017555379 0 0 0 0.015152966 0 Adipate 0.80994368 0.54054595 0.220142464 0.417261945 0.370625962 10.13481565 0.844895323 0.644409381 0.207855719 0.198743608 0.24026493 0.955807981 0.771102356 0.64525243 2.154432289 0.771073132 0.579109991 0.414941882 0.508778939 0.819647659 0.831420858 0.821300081 0.130007464 0.093775596 0.215116409 0.113937049 0.076347374 0.307599529 0.241563015 0.219969728 0.258471599 0.256401755 0.900433236 0.287537557 2.198807374 0.317179395 3.541366623 0.078418048 0.402423892 2.036103911 0.304296604 0.472271447 0.289209026 0.989940244 1.753932119 0.432745515 0.50822194 1.041455133 2.234472005 1.554685788 0.719201956 0.702635314 0.247299747 0.322013674 1.909542415 0.074207454 0.155635906 0.286625177 0.164437403 1.856421232 1.34663693 0.329922448 0.102298969 0.412109641 0.231290913 0.142561594 0.17168351 0.30053972 0.798454068 0.76224391 1.378486434 1.359199503 1.219692896 0.282585183 0.160866117 0.291048437 0.254238173 0.351345349 0.42265453 0.741613874 0.5052901 0.398264518 0.398645129 0.628924444 0.296816377 0.237613741 0.18520007 0.380584192 0.288519256 0.220624119 0.528393762 1.873313784 0.318221604 0.421058309 0.618318289 0.92996399 0.73276362 0.632674131 0.227843951 0.574446858 0.328466503 0.11376709 0.408025214 0.308361708 0.367626299 7.212249385 0.383467158 0.15993667 0.389351374 0.545740528 0.575128274 0.677571112 5.00811004 2.527902281 0.502995923 0.389116592 0.84703056 0.305394274 0.680463922 1.259038021 7.080176917 0.611350484 0.6954352 0.325073874 0.640768382 1.116710144 0.48688192 0.657781871 0.900782144 0.718243112 0.66245446 0.547388439 0.855916424 0.386629465 2.961444084 0.069438717 0.17080167 0.175048642 0.484207111 0.612147925 0.149783184 4.583370126 0.71284615 0.916759107 0.91439813 0.969481724 0.386285496 0.353849382 0.639097291 0.368121247 0.57290687 0.568236007 1.006624126 0.070050354 0.081321096 0.171104594 0.343192276 0.386694155 0.305346332 0.314122143 0.185790338 0.104857485 0.268700751 0.189428946 4.864993418 0.271595699 0.278710151 0.212975313 0.173228942 0.562466666 0.281300385 0.908110027 0.364195349 0.482590533 0.45966058 0.447702796 ADP-ribose 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 0.081118305 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.031868326 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 0.029377343 0.102426177 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.059926254 0 0 0.048228708 0.035157288 0.066407208 0 0 0 0 0 0 0 0 0 trans-Aconitate 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 0.02767477 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 0.046443021 0 0 0 0 0 0 0 0 0 0 0 0 0 0.011540736 0 0 0 0 0 0 0 0 0.035216287 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.069116393 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 0.058610569 0 0 0.077686252 0 0 0 0 0 0 0 0.028684404 0 0.01363216 0 N-Acetylglucosamine 1-phosphate 0 0.060268857 0 0 0 0 0.01732818 0 0 0 0 0 0 0 0.130411589 0.025735231 0.030264678 0.028446654 0 0.025807519 0.06502533 0.047645535 0 0.054679267 0 0.015087592 0.011574732 0 0 0 0.025151385 0.025330853 0.028318554 0.041319143 0 0 0.058566382 0.04822684 0 0.054837804 0 0.01766624 0 0 0 0.061413536 0.126565387 0 0 0 0 0 0.047411546 0 0.053360227 0.09462074 0 0.052400372 0.02465891 0 0.079587718 0.0270148 0.141705032 0.061316651 0.035660754 0 0.095627831 0.071481543 0 0 0.047980931 0.078146284 0.151502211 0.082810294 0 0.062812186 0.084076503 0.033366139 0.055816754 0 0.203976456 0.064816933 0.126791312 0.067789599 0.050788944 0.08137857 0.112047366 0 0 0 0.027761131 0.023394113 0.044239918 0.056868827 0.031705528 0 0 0 0.012511963 0 0 0 0.014765793 0.038280145 0.029937445 0.071424785 0.133795197 0.081371439 0.179484874 0.02228367 0 0 0.153125459 0.166390814 0 0.0422156 0 0.192091534 0.072817015 0.020389154 0.136439118 0.076852166 0 0 0 0.014302666 0 0.013796202 0 0 0.033077549 0 0 0 0.043169223 0.192238245 0 0.061879184 0 0 0.110387547 0.054726789 0.039968363 0.054396918 0.093776937 0.062650975 0.059929958 0 0.035878776 0.017733594 0.034190724 0 0 0 0.013400318 0 0 0 0 0 0 0.035638233 0.016814269 0.02076852 0.041144187 0 0 0.075261128 0.073187217 0.064753358 0.125841681 0 0.068250564 0.03418503 0.055769318 0.016739051 N-Acetyl-beta-alanine 0.107700993 0.142422617 0.067262997 0.060584338 0.10222305 0.061927231 0.063311948 0.123212595 0.094167147 0.138108149 0.088131234 0.060747907 0.049502379 0.033562205 0.074584296 0.08382717 0.109167612 0.034607834 0.057754239 0.077861981 0 0.081165454 0.045320612 0.19315004 0.052314326 0 0.062887207 0 0 0 0 0 0.066211531 0 0.140347216 0.038534659 0 0 0.055442041 0.054202531 0.089363118 0.082232145 0.067805076 0.051193987 0 0.078103 0.081265448 0.120306359 0.129179217 0.04379528 0.158095647 0.122741541 0.134742897 0.037996759 0.090330453 0.122728497 0.180643529 0.082474649 0.103368243 0.162436255 0.24435059 0.112960026 0.112973484 0.179634469 0.042673791 0.080902185 0.136250067 0.085464616 0 0.12884549 0 0 0 0.096871953 0.189953117 0.122103302 0.099433911 0 0 0.042859626 0.179242114 0.083886836 0.126728053 0.10354361 0 0 0.087589298 0.061338382 0.08101998 0 0.078399286 0 0.11094817 0.144555762 0.049410612 0.037429338 0.038708784 0.067101076 0.102446949 0.043647717 0 0.047030597 0.089345848 0.113436574 0 0 0.135393915 0.100134067 0.155903371 0.028197145 0.078510002 0 0 0.090030317 0.062019774 0.093977721 0.040901777 0.1415758 0.041016726 0.042502893 0.036243881 0.057713067 0 0 0.027314065 0.039296217 0 0 0.039599547 0 0 0 0.029310154 0.074333814 0.087194444 0.127922036 0.317218317 0.131128777 0.062602363 0.051986177 0.215877359 0.111207961 0.097261465 0.029524727 0.074524201 0 0.112349398 0.094011367 0.048956138 0.069371892 0.083175981 0.048816748 0.128116094 0.085368557 0.112739992 0 0.120642768 0 0.071302196 0.037673134 0.062900975 0.138054024 0.090984665 0.106155295 0.11782648 0.142718034 0 0.074329255 0.082946149 0.124423987 0.102899323 0 0.138098791 0 0.090032846 0 Allantoate 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 0.120965928 0.049018561 0.125336138 0 0 0.077657495 0 0 0 0 0 0 1.111315753 0 0 0 0 0 0 0 0 0.019882528 0 0 0 0 0 0 0.085210088 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 1.042293032 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 0.109298136 0.267001176 0.265080825 0 0 0.412674435 0 0 0 0 0 0.039082516 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 N-Acetylaspartate 0.437333539 1.009497693 0.656553271 0.459462807 0.898571588 0.839300924 0.3485554 0.193265512 0.476010379 0.264486866 0.23470144 2.410224729 2.5857203 3.354323728 1.913861988 1.393979161 1.242183318 1.045619736 0.967082451 1.480570966 3.035571813 0.743906621 1.46278365 1.575813435 1.899208219 2.064477698 0.703357941 2.186461043 1.256320284 1.788289023 1.07478194 0.963080399 1.484331634 1.608595731 1.238501689 1.32178212 0.470280447 0.838474356 0.833124879 0.464463129 0.455494648 2.058643918 2.465967224 1.29052466 1.023278105 0.720655125 0.801788226 0 0.801705833 0.434260285 0.077857984 0.323553388 2.996167519 2.163142267 1.484913865 1.781181853 1.261037815 1.500321654 1.066032023 0.67475574 1.000997194 1.551729417 2.372033946 0.661040155 0.588212008 0.811001915 1.447008765 2.080039688 0.132866765 0.138866756 0.606016818 1.113633988 2.010359681 2.217596467 1.665667533 2.352693305 2.489768809 2.167264249 0.986768121 1.595173579 3.509729146 2.547047827 4.001710688 1.909146943 1.502827514 1.479045057 1.584393779 1.801108146 0.631734732 1.916590521 0.921813282 0.640835215 0.72594252 0.889086149 2.497983169 0.352873728 1.998108041 0.065686825 0.656480771 0.687962906 0.139614554 0.444953791 0.096300566 0.085252793 1.466857183 0.716813256 0.167320655 0.400184012 0.433462441 0.517623859 0.265208372 0.429106357 0.352979258 0.239240653 0.674789086 1.4474743 0.311891526 1.524901439 1.44612324 0.344112841 2.311443063 1.389457826 0.121982007 0.076558386 0.03907353 0.18642041 0.101544134 0.325176393 0.849071375 0.381789273 0.22244311 0.560785519 0.232697419 0.280610798 2.692175097 0.25977459 1.241869549 2.105105184 0.752070899 2.248201195 0.531664569 1.590704944 1.930077814 7.801001183 4.558713393 8.169922985 0.788111113 0.762825847 0.68252975 1.413644033 1.533712752 0.675001455 0.639904495 0.470371717 0.361719911 0.650117784 0.878367122 0.738564958 0.511493402 0.980686148 0.358757321 0.957247569 0.51033754 0.483254269 0.357050427 1.089685276 0.527849862 0.431923623 0.799564106 0.856536438 0.908048942 2.296859271 0.740545763 0.661511338 0.573678129 0.642104885 N-Acetylglucosamine 6-phosphate 0 0 0 0 0 0 0.044836362 0 0 0 0 0 0 0 0.144430294 0 0 0 0 0 0 0 0 0.081551263 0 0 0 0 0 0 0 0 0 0.0575365 0 0 0.056428441 0.039666362 0 0.043437017 0 0 0 0 0 0 0.081497271 0 0 0 0 0 0.012109103 0 0 0 0 0.050913179 0.030473264 0.031591036 0.107739123 0.016095229 0.151362642 0.149746083 0.044524952 0.063015439 0.112478834 0.033416154 0 0 0.026408453 0.028789389 0.143078193 0.02255413 0 0.035263197 0.045898533 0 0 0 0.102887704 0.041551817 0.072410671 0.088225215 0 0.030072317 0.038391795 0 0 0 0.012624565 0.009350915 0 0 0.017357896 0 0 0 0 0 0.057977168 0 0.016026146 0 0 0 0.040587212 0.043362336 0.124448757 0 0 0 0.063455455 0.09264143 0 0 0 0.099678514 0 0 0.048306141 0 0 0 0 0 0.027563753 0 0 0 0 0 0 0 0 0.206219811 0 0.048960626 0 0 0.113272885 0.034607588 0.051400079 0.025271189 0.056114406 0.03008475 0.062259596 0.021169831 0 0 0 0 0 0 0.008000313 0 0 0 0 0 0 0.028149748 0 0.032559965 0.125700759 0 0.024675507 0.0470103 0.076323112 0 0.038591574 0 0.016694369 0 0 0 N-Acetylleucine 0.051955676 0.055945366 0 0.037057588 0.028515153 0.023301611 0.030563054 0.062112421 0.017957155 0.032233487 0.030548743 0 0.019660052 0.023971745 0.01002183 0.016855929 0.011022874 0.020402703 0 0.026445048 0.003156737 0.016048503 0.017055539 0.109275586 0.024546993 0.062737805 0.030147926 0.02197404 0.016455886 0.071808638 0.042092855 0.071072413 0.029017199 0.019974998 0.027510121 0.018223521 0 0.050306782 0.007443372 0.068998149 0.018048387 0.024583975 0.014568355 0.051447358 0.058825216 0.006445536 0.043480919 0.059776808 0.127553671 0.084530417 0.079476535 0.073692293 0.039701405 0.022135754 0.010646852 0.014773275 0.029772035 0.045115459 0.065056601 0 0.119066103 0.054545093 0.024857047 0.047874018 0.013570055 0.00640727 0.020088265 0.006967466 0.026995453 0.024935653 0.025896663 0 0.013086183 0.022276922 0.016302505 0.026679243 0.017379284 0.014473447 0 0.025656608 0.023171485 0.013615042 0.039497271 0.026656535 0.014209038 0 0.015855328 0.015646908 0.013244151 0.010440323 0.014021988 0.017421123 0.011067016 0.040992569 0.024057361 0.022275154 0.028549174 0.04084958 0 0.012487362 0.020504184 0.015396934 0.009845565 0.014097206 0 0.011743413 0.009879795 0.007744897 0.033446992 0.028599065 0.026170598 0 0.014799429 0 0.024093797 0.01528836 0.044615983 0.02309832 0.01102772 0.01857963 0.011317065 0.016011591 0.015598961 0.008665701 0.012065219 0.025659988 0.015116731 0.015235549 0.021412464 0.006410302 0.012324645 0.05373177 0.063448065 0.012915911 0 0.023002117 0.09658383 0.027760089 0.013549538 0.018150834 0 0.033981825 0.02897667 0.019782765 0.025369639 0.017669707 0.054422143 0.05062703 0 0.016350025 0.010733476 0.010160346 0.171605213 0.102740981 0.149227441 0.084957179 0.051277379 0.012288227 0 0 0.006010636 0.056992027 0.00919923 0.007668719 0.017805697 0.006701176 0 0.051815025 0.025611113 0.022192354 0.019397638 0 0.046403565 0.014677348 0.011675208 0.012484019 Acetyl CoA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.011228279 0 0 0 0 0 0 0 0 0 0.106857972 0 0 0 0 0 0 0 0 0 0 0 0 0 0.026225204 0.097774095 0 0 0 0 0 0 0 0 0 0 0.041120161 0.029687293 0.08557047 0.046005441 0 0 0.065773748 0.015378382 0.071893591 0.079355712 0.035963431 0 0 0.010625494 0.01384574 0.045004139 0.050086523 0 0 0 0.031096151 0 0 0.024285382 0.016035086 0.028432276 0.009532311 0.029497356 0 0.030461341 0 0 0 0 0 0.015419633 0 0 0 0 0 0.018192818 0 0 0 0 0 0 0.032163068 0.029846475 0 0.072110955 0 0 0 0 0.042874734 0 0.009918345 0 0.042542942 0.028681457 0 0.037780162 0.027349578 0 0 0 0 0 0 0 0 0.010966554 0 0 0 0 0.07279539 0 0 0 0 0.051629349 0.014353483 0.015966579 0.018026662 0.018135696 0.04832126 0.025239737 0 0 0 0.005285936 0 0 0 0 0 0.017768272 0 0 0 0 0.046408335 0 0 0.058849547 0 0.028234857 0.016805095 0.029749046 0.012636606 0.0774394 0.030983149 0.015991836 0.040772169 0.013892836 0.013006814 3-Acetylacrylate 0.423860088 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 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 0 0 0 0 0 Benzylsuccinate 0 0 0 0 0 0 0 0 0 0 0 0 0 0.007858768 0 0 0.002184907 0 0 0 0 0 0 0 0 0.006229561 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.004261487 0 0 0.002954066 0.006061245 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.008813675 0 0 0 0 0 0 0 0 0 0.012020525 0 0 0 0 0 0 0 0 0 0 0 0.006170374 0 0 0 0 0 0 0 0.006060401 0 0 0 0 0 0 0 0.005637461 0 0 0 0 0 0 0 0 0.00690088 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.007163117 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00315733 0 0 0.004918391 0 0 0 0.004945801 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Butyrate 50.73964001 108.0654407 94.40253641 95.17981835 66.95409505 55.2830917 34.41078448 69.48490363 47.2285219 105.9087984 89.49396175 80.9920799 30.25623584 31.91188554 55.089225 46.80233897 64.84048495 37.60003782 42.16984678 32.70434674 45.61842864 66.3741604 35.92955119 42.2339283 14.37488179 31.52200406 10.68337548 20.67174344 47.39215363 49.44746173 59.6978023 67.41418796 41.65705155 26.59235768 54.84713889 55.93856116 54.22705936 14.92492825 40.23424808 16.5842667 41.19657309 41.0347881 35.0414121 28.65249404 40.31481915 95.54502673 83.64711402 25.18383984 14.30259302 11.66966972 39.48770708 24.22390213 39.85585517 50.44616765 58.7761427 85.44147773 97.3675438 1.950473584 13.05422073 14.04927441 29.97389144 29.75434875 48.16893553 20.09253324 15.11083359 0.946497905 35.34768844 45.62975317 21.01909017 46.09969503 23.01218779 33.84932574 53.70826968 108.8589577 125.712477 103.7566394 71.28951611 48.17597178 85.97246823 56.4508275 115.4011777 105.370354 62.67060416 56.47480568 152.9119774 125.7760299 88.96895162 98.05908448 35.27115203 67.22056363 48.5262613 58.14551636 56.0123147 106.1552767 15.72296352 14.83193094 45.15360792 24.38188149 125.7347796 82.74865715 17.80032882 25.38226541 36.27924361 82.90445883 36.29764396 77.5466375 90.87243209 51.9129912 98.82129903 41.29068582 93.24906837 43.44924905 68.74121262 48.88061364 34.68753301 34.24610388 46.01470539 103.5076765 71.70920661 28.95512678 77.28971603 82.95047519 33.2903043 9.134382045 4.051944703 9.715560286 14.01863041 18.28161487 11.26280092 8.95433424 69.19592376 23.2386335 22.51465869 21.8560765 26.59777116 4.366559552 34.63841974 32.81434467 41.07223106 35.29448123 14.56830706 48.87496109 42.22164932 27.7269322 45.25550661 25.19310577 19.08995079 29.38282253 34.86771781 45.16770968 42.08682101 49.77918874 32.90862256 21.05079918 30.96273414 36.67865515 56.23172806 79.43729242 20.43801844 19.14231759 13.36924137 7.460440531 12.2902674 18.80914464 11.73304575 16.42668484 25.85955941 87.83257438 55.17113465 73.58780465 71.04667112 72.21363863 117.678575 116.591651 36.80596732 93.98832587 CMP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.03907875 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 0.015264484 0.013171018 0 0.011412934 0 0 0 0 0.048501457 0 0 0 0 0 0.013640149 0.054737652 0 0 0 0 0.015649859 0 0 0 0 0 0.025131282 0 0 0 0 0 0 0.017559898 0 0 0 0.013790451 0 0 0 0 0 0 0 0.018195285 0 0 0.030636609 0 0 0 0.013908974 0 0 0 0 0 0.028112581 0 0 0.023906187 0 0.006526872 0 0 0 0 0 0 0.018622151 0 0 0 0 0 0 0 0.027577951 0 0 0 0 0.020598411 0 0 0.033433049 0.029678495 0.047302 0 0 0.016271962 0 0.026696285 0 0 0 0 0 0 0 0 0 0 0 0.021612299 0.028280149 0 0 0 0 0 0 0 0 0 0 0.025705153 0 trans-Cinnamate 1.114113421 0.472505369 0.545492195 0.786726555 0.738504477 0.606891606 0.612571005 0.984750814 0.390023054 0.640624694 0.767229861 0.601827138 0.504669097 0.580012016 0.391240542 0.631925036 0.419907612 0.685158432 0.455697725 0.636637819 0.710008016 0.626235775 0.445553682 0.359865445 0.458901703 0.327005138 0.293411499 0.384432302 0.276547722 0.337029175 0.41634422 0.321807415 0.329446066 0.307906548 0.712905504 0.422165395 0.426632636 0.196264431 0.601705828 0.287940115 0.687710758 0.648824554 0.594716162 0.627518213 0.714501886 0.361271786 0.231387388 0.35907937 0.35831472 0.392825614 0.457830908 0.444315872 0.417040524 0.703047162 0.408785832 0.335070015 0.216723857 0.399261371 0.351401517 0.210689334 0.30301228 0.515201512 0.501128353 0.373706637 0.383464157 0.206125498 0.228536727 0.410591976 0.856277129 0.859135748 0.454698645 0.806807343 0.981902708 0.620575561 0.431698776 0.712064121 0.560852518 0.658382344 0.618604201 0.595652176 0.829537419 0.738395702 0.755208675 0.434188982 0.482469416 0.29603617 0.285501159 0.720079518 0.396065418 0.630037354 0.490560952 0.424667487 0.392233069 0.392592907 0.443083042 0.550463602 0.778677461 0.540741489 0.483312594 0.500549965 0.289213508 0.747242328 0.833057467 0 0.717519008 0.633447405 0.080615184 0.45382757 0.306606897 0.377604479 0.680233344 0.731087749 0.555333694 0.248778434 0.896299207 0.722330001 0.810124028 0.762723988 0.82422271 1.056067111 1.100884556 0.896666736 0.86432975 0.077796961 0.103301604 0.429795283 0.204101732 0.58164295 0.436742124 0.334780223 0.99530647 0.455980684 0.355016191 0.380844234 0.510961954 0.558906702 0.423176649 0.62359245 0.473584565 0.753649135 0.833335297 0.402932582 0.421840003 0.885266551 0.878579473 1.00318129 0.314257306 0.459016109 0.496108361 0.516070915 0.568269222 0.261509244 0.273956442 0.158538275 0.124547155 0.377130255 0.290781638 0.485918168 0.549230367 0.709939751 0.353205783 1.11569828 0.512422248 0.561247177 0.423088778 0.333899155 0.33638708 0.382897237 0.276528855 0.439674278 0.603849143 0.761359691 0.396407665 0.353713654 0.645046222 0.462748994 Cysteate 0.086235356 0.019035626 0.010729556 0.018620422 0 0.054010636 0 0.032116828 0.012735865 0.014348464 0.011930036 0.011502119 0.013744521 0.013725003 0.024585175 0.026800089 0.011974546 0.014976177 0.021255436 0 0 0.018587809 0.074522303 0.020492139 0.017089545 0.025846975 0 0.046705732 0.023334357 0.019867636 0.02461852 0.023224816 0.023814407 0.039858686 0.056378753 0.043184009 0.029013108 0.012178082 0.01384535 0 0.011114873 0 0 0.028149444 0.019601331 0.01239077 0.061660157 0.048816367 0.044567252 0.015973312 0.033521802 0.251287401 0.011042843 0.012124142 0.014729624 0.019584127 0.029463013 0.022482637 0.223235402 0.019790029 0.047563962 0.024392419 0 0.035180992 0.117541843 0 0 0.015240793 0 0.012353224 0 0 0 0.024494325 0.052756418 0 0.080964533 0.021616478 0.015010834 0 0.015838136 0.015329447 0.018929564 0.012460301 0.011477435 0.017331191 0.023195051 0.011922391 0.029833759 0.032730842 0.28930962 0.018187394 0.035944214 0.403233461 0.01334596 0.033195711 0.021272643 0 0.014982785 0.014609443 0.01139233 0.060421468 0.013839198 0.008100014 0.06532723 0.024223189 1.288694862 0.49302125 0.109186791 0.036262594 0.195069943 0.047280871 0.144151106 0 0.075022301 0.087275482 0.066760466 0.026049051 0.017388423 0.038913438 0.020570757 0.024410317 0.026840203 0.035931742 0.032615176 0.146825173 0.090897513 0.129312275 0 0 0.011350185 0 0.024953745 0.013467031 0.057193543 0.071610604 0.012118205 0.128576731 0 0 0.0895072 0 0 0.008050599 0.008321803 0 0 0 0 0 0.010234831 0 0.016239487 0 0 0.018577592 0.019637907 0.016689413 0.03808466 0 0.010976727 0.01644072 0.058932099 0.016434578 0.01825803 0.026276211 0.021540458 0.11516165 0.0413593 0.010080129 0.076629037 0.060751167 0.035116725 0.044641484 0.033830808 0.038394453 Hexanoate 0.427118655 0.234530388 0 0.177300868 0.164629143 0.195657017 0.105183868 0.389349285 0.084941314 0.220804137 0.180198274 0.489301709 0.220277706 0.226089878 0.200846303 0.348362077 0.426503891 0.351427845 0.239343101 0.273289051 0.288335366 0.278994845 0.070735695 0.096350466 0 0.126498449 0 0.064663366 0.176647976 0.086234875 0 0 0.7648424 0.275135546 0.413612181 1.541420313 0.486736218 0.047025345 0.251220905 0 0.375377576 0.175780785 0.467902176 0.770850976 1.429649219 0.816271494 0.052123418 0.142877944 0.083685357 0.060329743 0.165134712 0.113511843 0.331480018 0.199553247 0.186011301 0.173458984 0.276574368 0 0.112228888 0.036777849 0.023667019 0.030738536 0.135730981 0 0.019642008 0 0.02527899 0.028069596 1.020125476 18.76301058 3.603025342 3.171461173 6.482877721 0.07605834 0.081720833 0.249579046 0.138261874 0.22642161 0.259069797 0.365287644 0.179492503 0.17695452 0.06447741 0.149147319 0.393919806 0.165679473 0.12074168 0.347053012 0.094968283 0.081136785 0.089403128 0.15266232 0.106722355 0.200044623 0.071612016 0.068031925 0.260470758 0.173520421 0.471536565 0.426119452 0.187762523 0.104223032 0.082218535 0.141984584 0.279196299 0.582476928 0.07604366 0 0.042705724 0.25254833 0.789886713 0.361443016 0.153058298 0.063918223 0.29087848 0.338007102 0.404416692 0.170489353 0.203684973 0.169325807 0.168596541 0.394517945 0.113959617 0.451194221 0.077128278 0.154202305 0.541782491 0.364850425 0.068362194 0.192524105 1.231189134 0.292961393 0.268572747 0.16395662 0.091968453 0 0 0.083632085 0.169083333 0.080735402 0 0.099962547 0.11706908 0.125607828 0.151687888 0.157629803 0.036020296 0.078801868 0.23139189 0.155712847 0.097118127 0.148305898 0.0231707 0 0.033836645 0.037819378 0.061700885 0.09300482 0.119852474 0.072217931 0.148447936 0.02333307 0.072093618 0.025254193 0.037904597 0.087320734 0.053624685 0.068692509 0.091522697 0.621376272 0.069733522 0.308501149 0.205200392 0.19015079 0.110642001 0.109708735 Citraconate 0.020872361 0.012065767 0.010397152 0.015803706 0.011224325 0.010252372 0.004382622 0.011998968 0.015164044 0.018847717 0.012373386 0.014392076 0.011195281 0.007727895 0.007491775 0.024729208 0.024024171 0.011960867 0.008161852 0.012592834 0.022690719 0.023160171 0.009981157 0.008605515 0.010621522 0.014149958 0.011418766 0.01160325 0.01616095 0.014426034 0.021875577 0.021931591 0.01324418 0.023912066 0.010095127 0.020103556 0.014039525 0.006987637 0.011075099 0 0.016274149 0.017952277 0.015164663 0.012783493 0.013736353 0.020038764 0.015542157 0.007867274 0.022589987 0.013284753 0.017358815 0.009338532 0.067786474 0.014348016 0.020304449 0.022465915 0.063104663 0.009489045 0 0.009254987 0.009834231 0.016435233 0.008752795 0.002853095 0.008956634 0.022608416 0.014846351 0.015459445 0 0.011682406 0.013287797 0.012096553 0.013117089 0.017539671 0 0.014115433 0.011732527 0.006378561 0.011222853 0.011628561 0.013218576 0.009968762 0.014380672 0.010296917 0.030964525 0.015455258 0.014843836 0.020164247 0.012339028 0.019754117 0.012751143 0.010662503 0.01698163 0.027689992 0.012152878 0.010966863 0.013934381 0 0.015031949 0.01765418 0.008890215 0.015298483 0.04656987 0.050925417 0.012344859 0.012038298 0.006479362 0.005725796 0.003351787 0.009759818 0.012014455 0 0.010109242 0.001449319 0.016613851 0.017729955 0.018366719 0.016884667 0.01249029 0.011722803 0.008312101 0 0.007580801 0.003737581 0.007258951 0.004571048 0.00611792 0.00593298 0.007033149 0.003764271 0.00630415 0.012748274 0.021248141 0.014983019 0.021561742 0.00531043 0.016515521 0.009067529 0.015993847 0.012285741 0.010091486 0.008422872 0 0.01450635 0.022872471 0.01110732 0.013531578 0.008903155 0.019217433 0.018922077 0.008908675 0.01291884 0.0086409 0.009477165 0.005418229 0.009775471 0.00989708 0.015193187 0.019177956 0.011031325 0.029236778 0.047841143 0.023480801 0.013858718 0.070138854 0.017229391 0.022602147 0.026903382 0.012165049 0.02569748 0.015617945 0.010859195 0.016440441 0.021554018 0.026302123 0.013146598 Octanoate 0.038065775 0.128059451 0 0 0.061642239 0 0.079832273 0 0.06767378 0.039801215 0 0 0.039519299 0.017359999 0.091584531 0 0.014597312 0 0 0 0 0 0 0.038373934 0 0 0 0 0.038680342 0 0 0 0 0.033623726 0 0.077458997 0.255595386 0.129165762 0 0.049723189 0.023586559 0 0 0 0 0 0.202238096 0 0 0 0 0 0.468185396 0 0.087571614 0 0.333629918 0.024483557 0.198630385 0.048017051 0.209306535 0 0.123031786 0.072696521 0 0 0.382299573 0.069935501 0.064744362 1.307292086 0.039365474 0.072584542 0.195593497 0.695009538 0.2792103 0 0 0 0 0.043022409 0.065244159 0.114264224 0.193761215 0.067511822 0.06773885 0.121659305 0 0.049207235 0.029334118 0 0 0.039882543 0.035563572 0.039965749 0 0 0 0 0.04656404 0.048464333 0.01896451 0 0.200005552 0.07100181 0 0 0.837897814 0.113056008 0.220637217 0.03254782 0.041120701 0 0 0.796418999 0 0 0 0.081081036 0.060940802 0 0 0 0 0 0 0 0 0 0 0 0 0 0.032700578 0 0.141692354 0 0 0 0.21875745 0.173568063 0 0.188132402 0.060305587 0.06800651 0.246418926 0.24393071 0.609844822 0.026597235 0.049727655 0 0.043390496 0 0.157754861 0.110404879 0.395758679 0.20201735 0 0 0 0 0.042396011 0.020296961 0.02946083 0 0.027165311 0 0 0.137493132 0 0 0.235229837 0 0.067011293 0 0 0 Cholate 0.699997823 0.381083698 3.387379867 0.230525369 0.868926694 1.494760827 0.872530395 1.538008496 1.687336008 3.356469891 1.35308942 0.187147017 0.377875199 0.362226081 2.353923586 0.290866011 0.298655043 0.34624513 0.949018881 0.453688173 0.375450356 0.401052397 23.13109886 32.17068331 28.35253127 18.57516114 19.36623301 34.24162383 18.0310025 36.65470541 28.48853603 13.88902524 20.5341079 9.24457213 11.05306528 12.78579083 12.09664252 18.40846918 31.71868799 30.66878341 25.00012322 24.90928448 19.51492548 4.846465289 7.435358535 6.678359567 1.165130686 0.782023777 0.908134867 0.513817361 2.290884819 1.52523262 7.73515582 13.72752586 10.41289246 12.59033218 10.41872544 9.865988876 17.85125321 7.089086495 13.16399637 0.061517674 38.72321311 11.77283363 11.13454401 5.081395242 8.389291896 12.07942837 0.267546052 0.270192156 0.166720392 0.200761476 0.222112384 12.19670313 23.82112935 32.65443738 14.61414747 11.50668103 10.96056463 19.3835288 34.23805284 14.82453794 22.17523045 15.90658107 12.23340384 11.30966464 14.71778729 21.17458921 15.91962992 13.78891779 11.71868538 11.53363418 9.01120259 3.669802733 0.759234713 0.425147179 0.327650337 0.362852772 0.379064658 0.220422 0.514025138 0.831197251 17.17346102 5.409002835 0.108299803 0.119761917 0.36560853 4.246629397 0.687329622 0.033771551 0.313665859 0.239098962 3.6011393 0.85463209 0.249523548 0.262981498 0.124761049 8.306469869 0.359596271 0.373637475 0.516306659 0.335597516 0.362756502 0.289615438 0.316324999 0.409601869 0.537305407 0.562067998 0.767093073 0.538254924 2.030027356 0.617361909 1.043872728 5.656129971 11.59803612 7.531634385 23.48824885 13.86943356 13.45260931 14.18111527 12.7230616 4.923172958 1.454455896 1.102981584 0.710821829 0.279658162 10.07233118 14.18332076 1.629184407 11.01930266 10.13761003 8.191558135 14.85026903 18.60883527 22.92377648 25.84823159 20.92067801 22.52260421 13.18221827 13.44342883 10.6577698 4.046474569 11.7987363 9.60877701 2.955627278 9.341516026 4.791201996 2.753483567 1.58834317 9.599792124 3.254594165 3.380381496 2.906161954 3.061430514 4.059342896 5.093105495 AMP 0 0.011506137 0 0 0.024739835 0 0.021617835 0 0 0 0 0.023997374 0.019881274 0.031185041 0.07390455 0.0402231 0.058392703 0.051975845 0 0.018395502 0.202178902 0.107533601 0 0.060057545 0 0.018020428 0.065386517 0 0.00930514 0 0 0.083339584 0.056840138 0.050947782 0 0 0.024410937 0.054153532 0.014927958 0.038580636 0.021391433 0.05027619 0.012441177 0.024087584 0.024908529 0.081610371 0.182604144 0 0 0 0 0 0 0.030825753 0.085726594 0.044220057 0.03345857 0.111451866 0.07581624 0.112205226 0.117175935 0.069082112 0.038979472 0.09495057 0.065443726 0.070456483 0.094940435 0.072832534 0 0 0.057067311 0.085858993 0.175622361 0.096047398 0 0.065124382 0.067799953 0.089834125 0 0.021171899 0.042497847 0.069361946 0.101453864 0.109145347 0.042593119 0.070135982 0.052384857 0.02305316 0.014770627 0.037054596 0.065550665 0.046732554 0.034232597 0.084679032 0.05663091 0.009711484 0.039180118 0 0.044759701 0.065979051 0.011452154 0.026466189 0.088116871 0.054992723 0 0.152491434 0.091712157 0.021198835 0.20596353 0.041041113 0.042152694 0 0.081902237 0.109036552 0 0.082885264 0.026995285 0.082351055 0.086604896 0.014645864 0.176482355 0.081797539 0.02600204 0.005868541 0 0.037301481 0.012129206 0.053500283 0 0.018630318 0.040099094 0 0.007884354 0.018814676 0.113988502 0.163273374 0.161974693 0.162482304 0 0.056498246 0.112604598 0.158661109 0.141163656 0.173726903 0.239414779 0.232105761 0.088571336 0.044082257 0.071401429 0 0.089242586 0.025866235 0 0 0.026303723 0.024500301 0.044503792 0 0 0.011048505 0 0.120196793 0.107512555 0.076801421 0.074389597 0.096014319 0.114249537 0.106792511 0.113930799 0.103207511 0.155529776 0 0.130987704 0.109942076 0.134005486 0.099155677 Crotonate 0 0 0 0 0 0 0 0 0 0.618801424 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 0.285311242 0 0 0 0 0 0 0 0 0.211795809 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.365993917 0 0 0 0 0 0 0.195912289 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 0.113310498 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 Cysteine S-sulfate 0 0 0 0 0.021958241 0 0 0 0 0 0 0.01021754 0.019993117 0 0 0.017352466 0 0 0.016407365 0 0 0 0.02038988 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.011845524 0 0 0 0 0 0 0 0 0.017737112 0.016723125 0 0.011647806 0 0 0.021935814 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.011412971 0 0 0 0 0 0 0.011997589 0 0 0 0 0 0 0 0 0 0.023011479 0 0 0 0 0 0 0 0 0 0 0 0 0.017748381 0 0 0 0 0.022993699 0 0 0 0 0 0 0.023751138 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.136589928 0 0 0 0 0 0 0 0 0 0 0 0 0 0.016473392 0 0 0.013283209 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.011912367 0.059595641 0 2-Deoxyribose 1-phosphate 0 0.077250633 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 0.013474438 0 0 0 0 0 0 0 0 0 0 0 0 0.026417462 0 0 0 0 0 0 0 0 0 0.018571675 0 0 0 0 0 0 0 0 0 0 0 0.008729631 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01951511 0 0 0 0 0 0 0 0 0 0 0 0 0.01992485 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 0.016002422 0 0 0 0 0 DHAP 0 0.040014038 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.068944839 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 Dihydroorotate 0.096500795 0.046744765 0 0.163969806 0 0 0 0.103763381 0 0 0.072648176 0 0 0 0 0 0 0 0 0.047593705 0 0 0 0 0 0 0 0 0 0 0 0 0.043880417 0.052969971 0 0 0 0 0 0 0.070218682 0 0 0.034114058 0.035385142 0 0.045775947 0 0 0 0 0 0.341803427 0 0 0 0 0 0 0.095177174 0 0 0 0 0 0.157038877 0.038153181 0 0 0.061079814 0.082710336 0 0 0 0 0 0 0 0 0 0 0 0.064742655 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.044336053 0 0 0 0 0 0 0 0 0 0 0 0 0.054346127 0.090695928 0 0.054722809 0.052189449 0.055314922 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.035014752 0.044123973 0 0 0.033927834 0 0 0 0 0 0 0 0 0 0 0 0 0 0.288261716 0 0 0 0.031472528 0 0 0 0.07006326 0 0 0 0 0 0 2,5-Dihydroxybenzoate 0.134105718 0.196840811 0.207651624 0.249421333 0.127574706 0.205612226 0.127592077 0.193119277 0.227904535 0.144202316 0.160528088 0.245541992 0.055163217 0.063309413 0.053966451 0.048797841 0.076677986 0.136852381 0.187764162 0.082589085 0.039816305 0.111174118 0.060524985 0.1418136 0.096786705 0.228373186 0.111494015 0.158059536 0.1718721 0.137517456 0.145396242 0.387041406 0.091064559 0.154656758 0.308287095 0.084764414 0.193082186 0.145279956 0.049341361 0.074439008 0.13292764 0.050409321 0.078436758 0.059508976 0 0.116341953 0.209963557 0.043840014 0.068551653 0.03670838 0.035576382 0 0.032846533 0.111036809 0.129872986 0.270897529 0.288871753 0.051027052 0.062454964 0.120866386 0.055857839 0.036418438 0.14756442 0.059326491 0.08154907 0.079465637 0.104018729 0.091424213 0 0.078919846 0.077852238 0.048144167 0.125222152 0.239294547 0.255244346 0.190341945 0.315772605 0.1368137 0.185530833 0.117442804 0.210964899 0.187671304 0.241782307 0.208355166 0.12635867 0.093568753 0.034478294 0.058544384 0.072734172 0.044832014 0.120328462 0.116747005 0.145204644 0 0.071290404 0.083000504 0 0.027287511 0.276209574 0.113711698 0.046766274 0.030749657 0.138088578 0.172015431 0.089348503 0.194834017 0.206353523 0.161752449 0.194618885 0.118596714 0.093039506 0.060394636 0.161759845 0.269550845 0.110731816 0.143823526 0.067243355 0.130009472 0.038855451 0.018967698 0.14173346 0.082481613 0.045087021 0 0 0.046959386 0 0.029875538 0 0 0 0.068223603 0.076125424 0.186735631 0.17112939 0.195737874 0.311916012 0.565721814 0.086505359 0.058873288 0.279514863 0.084993693 0 0.038004766 0.093547446 0 0.098784791 0.173107808 0 0.09549498 0.137380587 0 0.348250425 0.175849862 0.266666561 0.439878855 0.353100869 0.172947586 0.131446663 0.102649231 0.097891463 0.205469724 0.110027675 0.165152806 0.323999811 0.087225551 0.097221626 0.196791252 0.357494247 0.201033883 0.13726623 0 0.279315975 0.168145238 0.096470082 0.114683755 Dodecanedioate 0.016148641 0.013852329 0.009429814 0 0 0 0 0 0 0 0.002663395 0.130553826 0.264199796 0.043202771 0.026122296 0.215645112 0.140440238 0.071005264 0 0.063188167 0.197735437 0.060794534 0 0 0 0 0 0 0.001757726 0 0 0 0.046979387 0.034170824 0.023257101 0.148667989 0.021149111 0.014458967 0.083098922 0.008875876 0.174149438 0.229157688 0 0.019700258 0.031328786 0.021342086 0.10143001 0.133108455 0.09999296 0.044640331 0.200584517 0.156952125 0.008430845 0.025787592 0.008661401 0.005909486 0 0.002273234 0 0 0 0.00306123 0 0 0.003276376 0 0 0.004871177 0.22725732 0.207083166 0.246930519 0.129170814 0.148807705 0.026554014 0.047461177 0.045029688 0.068302213 0.048552113 0.388864002 0.241723743 0.019766202 0.032329839 0.026887323 0.031159022 0.115352201 0.099052015 0.046811084 0.185015802 0.034712056 0.057584604 0.041610854 0.048097529 0.081967988 0.121816819 0.036895909 0.043322233 0.099055757 0.041302773 0.069337912 0.177269865 0.063704077 0.244389005 0 0.014495975 0.162051225 0.091770184 0.024924907 0.012036169 0.012214739 0.096627016 0.031036674 0.053390285 0.032484253 0.010331111 0.19968141 0.121826971 0.182018825 0.051337984 0.119200807 0.111541935 0.099762801 0.083884005 0.089685896 0.007295974 0.007143418 0.061882308 0.008434085 0.040614749 0.099491967 0.025455155 0.199125418 0.124505189 0.071895471 0.009565544 0 0 0 0 0.01197785 0.040256291 0 0.016508501 0.015438874 0.103378518 0.09751341 0.078940703 0 0.008409091 0.134048775 0 0.010494684 0 0 0 0 0 0.016095567 0.089381772 0.009242083 0.024063082 0.004985096 0 0 0 0.008719569 0 0 0.141355843 0.056931971 0.073037974 0.392852261 0.131701876 0.022647939 0.109526551 0.1473271 0.121473643 Decanoate 0 0 0 0 0 0 0 0 0 0 0 0 0.037129093 0.011098002 0 0 0 0 0.034183233 0 0.031552871 0 0 0 0.016773838 0 0 0.021996951 0 0 0.023224306 0 0 0.014238691 0 0 0 0 0 0 0.031152794 0.029050861 0 0 0 0 0 0.042766029 0 0 0 0.030839871 0 0.012681782 0.036930168 0.026659553 0.04791168 0 0.113624841 0 0 0.023527354 0.03774956 0 0.01101911 0 0 0 0.058219794 0.049779893 0.019956316 0 0 0 0.062914148 0.052904717 0 0 0.0863637 0.08009615 0.017702006 0 0 0.035652089 0 0.04746359 0.044752841 0.058333078 0.0360372 0 0.030567978 0.041937051 0.042176332 0.052677338 0.017177268 0.010208136 0.043267001 0 0 0.025726431 0.033139089 0.037619866 0.030524349 0.042777169 0 0 0 0 0 0.028639631 0.042983549 0 0 0 0 0.017227812 0 0.088540359 0.036098265 0 0 0.028265096 0.025971136 0 0.005544378 0 0 0 0 0 0 0 0.030828534 0.01896179 0 0 0.022141425 0 0.206407823 0.050660945 0 0.011056065 0 0 0 0 0 0.027988125 0.046348929 0 0.036687804 0.045806872 0 0 0 0 0.029251883 0 0.021661797 0.030996182 0.053942264 0 0.029163629 0 0 0 0 0 0.023762293 0 0 0 0.04127065 0 0 0 Digalacturonate 0 0.100058228 0.456939122 0.267251673 0.387677133 0 0.211371128 0.102500006 0.119516428 1.181460513 0.10894178 0 0 0 0 0 0 0 0 0 0 0 0 0.035204836 0 0.036193401 0 0 0 0 0 0.060186465 0 0.039183617 0.151286244 0.026973279 0.094964632 0.066889285 0 0.083016793 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.019589653 0 0 0 0 0.162117697 0.047122855 0 0 0 0 0.181008177 0.079853529 0 0 0.022876603 0 0 0.086072192 0.121255125 0 0 0 0 0 0 0.018450147 0 0 0 0 0 0.180041768 0 0 0 0 0 0 0 0 0 0 0 0 0 0.009203076 0 0.043713201 0.028365613 0 0 0 1.589131976 0.058821568 0 0 0 0 0 0 0 0 0 0 0 0.010964893 0 0 0 0 0 0 0 0 0 0 0 0.030873978 0 0 1.081548156 0 0.227847971 0 0 0.118449147 0 0 0 0 0 0 0 0 0 0 0 0.011089075 0 0.100456877 0 0 0 0 0 0 0.248502438 0 0.026816213 0 0 0 0 0 0 0.05561892 0 0.02297221 0 0 0 P1, P4-Di(adenosine-5') tetraphosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.011623998 0 0.013533145 0 0 0.047187661 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 0.016951098 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.032884811 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 0.02374087 0 0 0 0 0 0 0 0 0 0 0 0 0 DCA 5.780322959 2.342348216 5.638342165 2.626656574 4.456437002 8.8077276 5.920752278 9.703913642 3.749090841 5.557624642 4.698669376 3.576366523 11.04355683 7.297100151 6.261253307 5.489982313 3.01575391 5.586117747 4.511626205 9.042792693 2.000786132 2.474243049 1.885539511 3.674857153 0.971073732 2.755502635 2.27193363 2.124386158 1.523283254 3.04002203 2.813369455 1.187690965 4.665407646 4.859731731 2.994405014 1.516066415 1.775309721 3.338124292 0.600871434 8.256490785 1.769927129 1.246016741 3.197581829 4.543084004 4.24364508 2.654688743 0.321979081 8.649611959 9.567959583 3.34484321 11.18163386 11.93624201 6.131535995 3.058873433 3.571733416 3.661610828 2.97311342 1.21259591 1.592612123 1.151568181 0.994156343 1.887696368 9.96349734 2.270833836 1.913835583 0.717711415 1.198404107 2.320704455 3.424416319 2.831017742 1.965252348 3.764281296 3.275985362 1.712903916 7.768785245 4.018145434 2.4082966 3.244524707 2.062065637 6.068870362 5.003437315 3.06752404 2.101312362 4.184141833 3.389992146 3.52162876 3.510606249 5.954820135 3.613962491 5.303859326 6.621443227 4.165642599 3.171650749 2.790214787 7.825945819 4.265127623 2.772073484 3.562830725 1.681443133 2.800809641 1.75625339 6.510760117 4.519565787 4.537379658 1.461302366 2.118143994 2.704520726 3.150660828 2.246694333 1.112005321 4.600989914 2.607590747 5.615344089 2.729006552 3.927635858 2.967119397 1.565914455 7.636091081 6.946033005 3.449932305 9.399180804 8.040432995 8.656911199 4.857455953 2.100188756 4.774325014 15.08261909 5.459801672 10.6856261 10.30702229 6.184217057 2.504927707 6.008952479 2.882217531 1.484549228 1.954496748 8.84539952 6.805186892 5.294934217 14.79486286 2.579987097 9.548609563 7.974925875 9.785329371 7.021442792 6.474135082 2.252928691 4.959386188 4.785814836 1.673725204 0.814957269 3.601295808 2.407336011 2.918491441 3.813281921 3.957238671 2.258852988 2.025950973 1.030012785 0.389177565 0.951708843 0.352913445 0.429958331 0.611522628 0.534681604 0.679334728 1.299323071 0.906276152 0.50999399 1.975026088 0.494150449 0.881506514 1.183295102 1.63202529 0.942276063 1.84890991 Ethanolamine phosphate 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 0.076032011 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 0.011450415 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 F1,6P 0 0 0 0 0 0 0.014963839 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 0.034993639 0 0.014607171 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 0.080173371 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 0 0 0 0 0 0 0 0 0 0 0.029916084 0 0.02511291 0.027932849 0 0 0 0 0 0 0 0 0 0 0 2-Furoate 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0.021298572 0.035077357 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 0.03380169 0 0 0 0 0 0 0 0 0 0 0.123223045 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-Formylaspartate 0 0 0 0 0 0 0 0 0.008690111 0 0 0 0 0 0.017665254 0 0 0 0 0 0 0 0 0.012009903 0 0 0 0 0 0 0 0 0 0.020862038 0.01538147 0.030349916 0.005724596 0.009778953 0 0.018596986 0.015524784 0 0 0 0 0 0.046408757 0 0 0 0 0 0.078820169 0.049620441 0 0 0.060458359 0 0 0.05797764 0.014553071 0 0 0.007778767 0 0 0 0 0 0 0.008149937 0 0 0 0 0 0 0 0 0 0.027483278 0 0.02519133 0 0 0 0 0 0.012280174 0 0 0 0 0 0 0 0 0 0.009974295 0 0 0 0 0 0 0.016398006 0.01828093 0 0.072935828 0 0 0 0.006675985 0.014253514 0 0.01670227 0.013107804 0 0 0.017360074 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.019660584 0.012025615 0 0 0 0 0.007590947 0 0 0 0 0 0 0 0 0 0 0 0.02262785 0.024918872 0 0.014051447 0.010286078 0 0 0 0 0.013852266 0.011548385 0 0 0.046010669 0 0.020552858 0 0 0.004843875 0 0 0 0 0 Glycolate 0.75540102 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 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 0.493821816 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 Glucosamine 6-phosphate 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 0.016598598 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.021083197 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 0.021357676 0 0 0 0 0 0 0 0 0 0 0 0 0 0.012629571 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.010817274 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 Glycerate 1.059649489 0.52673886 0 0 0.762357175 0.65506894 0.879060294 0.714903524 0.795404738 1.070362087 0.461569515 0 0.578630905 0.637966318 0 0 0.477808842 0 0.571152448 0 0 0 0 0.808941637 0 0.811091402 0 0.607950916 0.724580946 0 0 0 0 0.754017226 0 1.083458592 0.729450937 0 0 0 0.670425161 0.329484824 0 0.291358579 0.768388436 0 0.507562097 0 0 0 0 0 0 0.749265031 0.585561634 0 0 0.371899924 0 0 0.474249272 0 0 0 0.380619739 0 0.378955048 0 0 0.543158079 0.438321121 0 0 0 0 0 0 0 0 0 0.595126103 0 0.694859335 0.510607296 0.416344852 0 0 0.621893322 0.402616132 0 0 1.155474715 0.537947138 0.535819098 0.332035663 0.663999064 0 0 0.764661121 0 0.480185042 0 0.551878975 0 0 0 0 0 0 0 0 0 0 0 0 0.520175253 0 0.424106742 0 0 0 0 0 0.306516386 0.240167583 0.363992419 0 0 0 0 0.364094099 0.338037924 0.622618561 0.555864695 0 0.482893428 0 0 0.875090709 0.327880069 0 0.40708491 0 0.620831221 0.622255772 0 0 0.495978829 0.607959145 0 0.392281539 0 0.777875293 0 0 0 0 0 0 0.619295894 0.932190072 1.006297268 0.708159106 0.772709845 0 0 0 0 0 0.513069215 0 0 0.569865439 0 0.401311954 0 Glycerophosphate 0.047723272 0.639415631 0 0.061334653 0.161415656 0.103002331 0.110444339 0.06424366 0.172404329 0.0635927 0.078804489 0.050931368 0.034496485 0.067768949 0.213422541 0.079768752 0.124121639 0 0.033983939 0.054248369 0.094650413 0.132450287 0.05434562 0.060161768 0.042844332 0.056919293 0.0368291 0.030235329 0.040391412 0.058825278 0.09287121 0.108065012 0.03331501 0.074730204 0 0.022462977 0.044083622 0.060531491 0.027602661 0.060865187 0.047355161 0.080439764 0.037569854 0 0.032301132 0.09508431 0.300071356 0.019069725 0.031232463 0 0.022305851 0 0.075223591 0.034523668 0.118135077 0.135318347 0 0.104182138 0.067864748 0.191136392 0.252830525 0.050142363 0.452397804 0.317554523 0.039226771 0.247923049 0.393578921 0.283763657 0.027765538 0.043259754 0.050200729 0.08785853 0.181403779 0.118457285 0.079824478 0.119864603 0.172196743 0.057985959 0.063750648 0.034273173 0.192785435 0.091998084 0.112865411 0.106619044 0.098493604 0.12302507 0.347477964 0.094376926 0.02425533 0 0.064968224 0.055131438 0.099390654 0.073794687 0.068117191 0.049774229 0.038858986 0 0.067945244 0.104989702 0 0.030233191 0.057013641 0.111103588 0 0.386372444 0.278742261 0.204162109 0.254555003 0.039659354 0.028189241 0 0.134722422 0.109591138 0 0.048359946 0.062949999 0.050314046 0.04884158 0.041272287 0.046626354 0.052464352 0 0.034748919 0.023520331 0.032303395 0 0.021919651 0.050313648 0.029359296 0.061275072 0.05227809 0.025302805 0.033470594 0.117908329 0.156625715 0.035437957 0.167556037 0 0.051503498 0.126342455 0.06455354 0.042309836 0.044593209 0.116370895 0.081618714 0.096951877 0.0328264 0.03674183 0 0.063889563 0 0.047097226 0.072635642 0.125067418 0.04183431 0.108535939 0.062334298 0.028109387 0.024102448 0.069219856 0.780717331 0.04259343 0.116593531 0.360928806 0.070440051 0.173161583 0.093638574 0.142174907 0.114447601 0.438550023 0.31160841 0.08228833 0.115730726 0.201566755 0.226595773 N-Acetylneuraminate 0.774672914 2.459491337 1.995009302 1.044459774 1.850580335 0.841133931 1.905851548 1.674594193 2.04714398 1.22422863 1.106469598 0.185543177 0.114815597 0.090259756 0.461883197 0.148847393 0.084227217 0 0.065615912 0.049864233 0 0.023540644 0.04383688 0.034642779 0.085907951 0.056986118 0 0 0.04909281 0 0.017729487 0 0.101113958 1.181263617 1.078673678 0.112917574 2.120679928 0 0 0.104479726 0.059968114 0.061465305 0.055351367 0.03132485 0.085464432 0 0.303018602 0 0.007166666 0.051740085 0.011497493 0 0.118305504 0.043218349 0.063014837 0 0 0.129404888 0 0.957777707 0.120615761 0.050328615 2.396180254 0.087111329 0.069666777 2.334159233 0.203908006 0.036600403 0.102081249 0.331126668 0.055637346 0 0 0 0.376488763 0.148357987 0.337431558 0.065210511 0 0 0.240697638 0.080298811 0.14060899 0.203139372 0.022116025 0.08036523 0.704664533 0.096752422 0.009272487 0 0 0.080614893 0.049477452 0.106676599 0.059010373 0.167979805 0 0 0.09969927 0 0.051877387 0 0.037176751 0.01957519 0 0 0.13514007 1.221651205 0.172291646 0.024191721 0.0625177 0 0.127307994 0.1053308 0.075199733 0.029603668 0.050378249 0.290083413 0.115670565 0.093306237 0.129091487 0 0.083545328 0 0 0.059373808 0.028932418 0 0.06504711 0 0 0.075042858 0.062781346 0 0.184409685 0.168704932 0.051201873 0 0.279969938 0.091260534 0.232607384 0.091113991 0 0.102528498 0.179604459 0.0476681 0.094568658 0.091169656 0.043176173 0.021869907 0.040904643 0 0.429183622 0.391856184 0.73681888 0 0.045392832 0 0 0.196812435 0.165370776 0.214770562 0.093990564 0.114999589 0.317794393 0.086970548 0.066068939 0.0716698 0.354386727 0.036768672 0 0 0.087048297 0 0.069522497 0.046021424 Glutarate 4.160182621 2.153661484 0.689786054 1.663140502 1.87798795 2.18634525 0.579459885 1.36035672 1.396008708 1.060945312 1.555951862 6.562369253 6.016699758 5.062605363 1.71390998 2.51750775 0.920457153 0.769152863 1.550447749 1.29086438 4.240934703 1.325734408 0.915198225 1.530692391 0.707021164 2.859456756 1.048804047 0.822634273 1.546611009 1.580477806 1.804206134 1.575317719 2.030261419 1.680629173 1.462198878 2.467181225 1.085343435 0.771249911 3.510839507 1.56041066 2.414986664 2.920582307 1.377085629 1.208168216 1.442188418 1.164916994 1.231718749 1.915721355 2.268610268 1.860706214 1.677528399 1.246619986 1.594417115 1.369267586 0.981895508 0.728356139 1.023590749 0.383611615 0.626138442 0.613146756 0.979450513 0.626527377 0.315869517 0.214437398 0.693459207 0.113966236 0.276540474 0.505566167 8.439556447 8.458910152 6.205450051 8.987338587 1.134800066 1.3149695 1.718135126 1.282967355 1.394625827 0.775759289 1.832675157 1.756755879 1.211657504 1.157112782 2.166058279 1.239030784 1.729699844 1.300969163 0.937193679 1.763503782 0.486737412 0.52795232 0.567216627 0.446655876 0.636642583 2.164985623 1.360789113 1.06786198 1.976591753 1.318525306 2.009742256 2.293154915 2.444052745 1.118169213 0.491985038 0.847102413 2.613367715 1.417766904 2.043820658 0.383444587 1.254279357 2.390605472 3.110095869 3.337878986 1.341929877 0.770176934 3.56283192 2.10162823 3.552154696 1.862637996 2.056845514 2.602431713 4.541009228 3.103471563 3.043058126 0.344600959 0.507273687 1.743060584 0.508267366 1.110615047 2.006094331 1.077183688 6.121748762 2.003579648 2.366435498 1.857194237 1.149728465 0.511859393 0.696443691 0.678258519 1.415125892 1.544843188 0.708873093 1.711012528 1.412030943 2.046602704 1.685185164 2.002256869 1.078418996 0.596358398 0.997345958 1.29707404 1.286379767 1.126827807 1.058375854 0.94254366 0.63677288 0.739372265 1.497891073 1.320051464 1.759950992 2.166644693 1.651565103 0.483291421 1.098549583 1.305976071 0.388873292 1.577566609 1.514296136 1.113539244 0.767036108 1.192563116 1.163841523 0.793176791 1.30924735 1.058560372 1.526392015 0.746304059 Glycocholate 0 0 0.184129034 0 0.090681568 0 0 0 0.095814904 0.561757546 0.662802916 0 0 0 0.033519188 0.048993897 0 0.026473989 0.039908501 0 0 0 0.074448251 0.143968817 0 0.061336251 0.18940696 0 0.348157273 0.459341621 2.040040831 0.511686998 0.095726835 0.034853184 0 0.165819932 0 0.32091375 0 0.15845251 0.2127952 0.067056583 0.081448627 0.029247084 0 0.213969287 0 0 0 0 0.089621652 0 0.279747614 0.048019491 0.270714844 1.030600049 1.37342681 0 0 0.095080128 0.052589702 0 8.974636232 0.245590471 0.022138904 0.464919494 0.769705412 0.267071187 0 0 0 0 0.09596514 0 0.308598681 0.039664683 0.159379177 0 0 0 0.389495347 0.056876752 0 0.189968793 0.232244848 2.589341651 2.713162487 0.44147109 2.919428115 0 0 0.16686088 1.287172249 0.082229834 0.019923958 0.016164818 0 0 0.032048767 0 0.023057453 0 0.525086717 0.172319025 0 0 0.421450089 2.047860778 0.076798118 0 0 0 0.085101713 0 0 0 0 0.055285127 0.053797583 0 0.028542552 0 0 0 0.012815657 0 0 0 0 0 0.028838834 0 0.042336984 0 0 0.121014481 0.115882615 0.279809509 0.047521817 0.06601439 0.400662572 0 0 0.43580328 0.173584285 0.083945112 0 0.042802207 0 0.09914023 0.028074402 0.035333804 0.0872419 0.401125433 0.311202528 1.075383508 1.035865953 0.494044333 0.038056732 0.052409205 0.082986426 0.041534312 0.034410364 0.039363902 0.133710948 0 0.083684461 0 0 0.709753505 0.050479623 0 0 0 0 0.094378858 p-Hydroxyphenylacetate 1.944644423 1.128510462 0 0 0.670657601 0 1.463506741 2.366161977 0 0 0.372466504 1.480440634 0 1.160841533 0 1.550758796 0.999486343 0 0.987861853 0.281176645 0 1.476612712 1.968022478 0.624995287 1.654652598 1.529399225 0 1.192017378 0 0 0 0 4.536902906 5.802383966 3.948996948 6.518075879 1.18271956 0 0.580169595 1.08908466 1.431607825 0 1.357097836 0 0 1.130631875 0 0 0 0 0 0 0.605364859 0 0 0 0 0.653403616 1.496374134 0.067000545 0 0.5257239 0 0 4.901883885 0 0 0.457576599 0 0 0 0 0.914622505 0 0 2.194910316 1.353307411 2.384977101 2.527858497 1.613376174 3.445372958 2.887303939 2.208646432 2.766986359 0.945362953 0 1.105862325 2.87466117 0.901566827 0.708067343 0 1.335333815 0.647616948 0 0 1.07335574 0 0 0 0 0 0.326115545 0 0 0.61970301 2.856792102 0 0 0 0 2.131387036 0 0 0 0 1.913465862 0 0 0 0 0.450631746 0.825720227 0 0 0 0 0 0 0 0 0.450525085 0.697760128 0 3.906410971 0 0 0 0 0 0.183404248 0 0 0 0 0 0 1.305650793 2.154641684 0 1.418394037 0 0 0 0 0 0 0.629013848 0 0.940369895 1.140931661 0 0 0 2.006339539 0.790317288 0.777336143 0.383262424 0 0 1.714676205 0 0 1.062643391 3.396762692 3.352811576 1.900057193 o-Hydroxybenzoate 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 0.023319777 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.063976637 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.056912433 0 0.037317084 0 0.058742198 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.039929202 0 0.060821378 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.113659498 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 0.059777024 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxybutyrate 0.157165202 0.502189724 0.364549348 0.549300422 0.563656326 1.136075326 0.897867566 0.49524039 1.091536803 1.398691379 1.154544534 0.429240278 0.056517674 0.063840186 0.284029503 0.196201492 0.25179012 0.04759576 0 0.085579022 0 0.081863565 0.151404296 0.480916951 0.120069682 0.334581945 0.260666646 0.177459624 0.212768355 0.292560784 0.431371446 0.540898861 0.739372211 0.757756131 2.097681696 1.451874456 1.519115717 0.535783953 0.240025719 0.771531164 0.350029652 0.226528299 0.411116217 0.173980685 0.77992145 0.749842646 2.417499915 0 0.063141124 0 0.080505672 0 0.297144988 0.067066538 0.448273681 2.026972394 3.092954017 0.276296294 0.164694537 1.094363092 1.387122419 0.419984985 1.026582635 0.719512349 0.156078409 0.73605382 1.879795573 0.926968047 0.108130861 0.285152483 2.222287136 0.462098045 0.615716962 2.123216287 2.264081949 0.566250669 0.94350206 0.148670226 1.243089334 0.162512239 1.09733482 1.144378393 2.100974976 1.125776826 1.648551682 1.584141853 0.899708343 0.343998276 0.032970185 0 0 0.332338361 0.44115559 0.588133173 0.095852535 0.059388364 0.073739215 0.091487958 0.639617212 0 0.06603457 0.074722216 1.080310156 0.727427903 0 0.086179285 1.367352274 0.601907093 1.048989415 0.047260192 0.133005103 0 0.84238995 1.182228983 0 0.335404682 0 1.553608365 0 0.116703528 0.123615334 0 0.075353442 0.067397171 0.072955169 0.075930056 0.088092071 0.08004664 0.087945981 0 0.838679311 0.223261185 0.092117212 0.252816561 0.363918374 0.39017644 0.493812571 0.27087611 0.201291617 0.08599839 0.016418058 0.636778789 0.414645531 0.103471634 0.162476242 0.080028638 1.036861303 0.530454144 0.169248175 0.31988615 0.233768615 0.261327962 0.605052395 1.140529103 1.428118788 0.387526479 0.794482851 0.222352025 0.149271529 0.2143865 0.202579481 0.276579338 0.245408073 0.374917396 0.537364889 0.114887453 0.217584877 1.387723372 1.988300332 0.539778656 3.279590779 0 1.035345597 0.510639756 0.184065859 0.337601123 Heptanoate 0.04803299 0 0 0 0 0 0 0 0 0 0 0 0.023712316 0 0 0 0 0.049635092 0 0 0 0 0.007610227 0 0 0.027808766 0 0 0 0 0 0 0 0 0 0.032892328 0 0 0 0 0 0 0.023842285 0.030449244 0.043211297 0.046578009 0 0 0 0.008011337 0 0 0.010453783 0 0 0.026306499 0.02923708 0 0 0 0 0 0.028862726 0 0 0 0 0 0.337353559 6.077206142 0.699113157 0.710494802 1.327552861 0 0 0.05488028 0.032330076 0.030914266 0 0 0 0 0 0 0 0.041007927 0.035888118 0 0 0.02749748 0.006221769 0 0.012621418 0 0 0 0.028741268 0.024101408 0.015923133 0.054041193 0.032854553 0.02349497 0 0.034738968 0 0.033969018 0 0 0 0.011993927 0.024692902 0 0 0 0.037169813 0 0.03977456 0 0 0 0 0.024739434 0 0.025872031 0 0.016891857 0.019784092 0 0 0 0 0.02505977 0 0 0 0 0 0 0 0 0 0.013048408 0.028756138 0 0 0 0 0 0.022277989 0 0 0.029816457 0 0 0 0 0 0 0.031252654 0.019069483 0.016910927 0 0 0 0 0.021594214 0 0 0.021082715 0 0 0 0 0.042096793 0 0 2-Hydroxyoctanoate 0.089639564 0.115391554 0.02385144 0.010090219 0.06473011 0.036894907 0.045747906 0.025817336 0.040089524 0.018964414 0.0189931 0 0 0 0.01490186 0 0 0.0598267 0.022130847 0.094473759 0.006230471 0.015748099 0 0.379735016 0.007779231 0.02119449 0.479524755 0 0 0.028602711 0.020920305 0.027524322 0.492081538 0.160930073 0.170502125 0.265914809 0.391132816 0.022971627 0.012158868 0.007718855 0.00517354 0.007338908 0.157871078 0.034910344 0.050225872 0.017246341 1.118550526 0 0.009758142 0 0 0 0.034249372 0.013533787 0.026085215 0.011594768 0 0.161295115 0.023004483 0.151353636 0.506312308 0.030252089 0.083066356 0.047270411 0.015071912 0.062064204 0.041043492 0.032985116 0 0.048051534 0.009148201 0 0.015272599 0.783035862 0.011990161 0 0.015683046 0 0.023587469 0.017717342 0.012092271 0.054573109 0.027167735 0.016958833 0.01029683 0 0.073829731 0 0.013757406 0.025028059 0.013624617 0.011141042 0.032594431 0.024309011 0.007586439 0 0 0 0.059938425 0 0.014101027 0.007032616 0.034419414 0.007981764 0.084457863 0.031056276 0.517295833 0.170270819 0.14895385 0.00931527 0.009870772 0 0.015328829 0.149794122 0.044066133 0.030657066 0.0188244 0.019504271 0.048334774 0 0 0 0 0 0 0 0 0 0 0 0 0.471722258 0.124394119 0.035148142 0.122459359 0.132689175 0.157376838 0.468685168 0.066401828 0.038367474 0.488937137 0.081454156 0.026417459 0.011786685 0.037182158 0.059881127 0.810823969 0.014221299 0.012497833 0.18612796 0.049682013 0.097130744 0.036043767 0.120127705 0.076726903 0.044805825 0.020136081 0.023268164 0.088531358 0.051247842 0.433295601 0.50015576 0.075329679 0.081770656 0.193914613 0.62566516 0.039198681 0.743855306 0.284536588 0.007191457 0.488082508 0.045333087 0.093018579 0.028177822 0.029906258 0.020656004 2-Hydroxypentanoate 0.538266536 0.799213955 0.425874129 0.640608965 0.561854809 0.406557112 0.217462241 0.858990817 0.64109697 0.482705792 0.620142033 0.311968671 0.232356606 0.13352682 0.50190043 0.226503552 0.160751462 0.182835078 0.281174751 0.174220075 0.103477206 0.190974131 4.060995293 2.45208718 2.754885809 6.55671992 0.94349467 4.139440566 2.561763775 3.246753265 2.139310728 3.800127205 0.20500275 1.032700038 0.638368851 0.376401163 1.242509004 0.713463145 0.189699176 4.939089761 0.196662591 0.207726509 0.273991211 0.285964432 0.305452458 0.35218075 0.69432001 0.210795572 0.111186751 0.052109588 0.230533182 0 1.923400465 0.192896241 0.153476251 0.767255993 1.263475671 0.678898637 1.436792177 0.997956441 1.177775637 0.994299579 0.826653481 1.839935128 0.205572233 1.728004343 1.231202227 0.818048227 0.327270029 0.402061331 0.115669827 0.062838313 0 0.900412854 0.976452641 0.510926878 0.972738301 0.200915066 0.516470968 0.191395753 0.721955445 0.846085831 2.605804441 0.814949205 7.011287813 0.880838874 1.018269895 0.351489068 0.51295089 0.612526762 0.643002737 0.845469352 0.753477725 3.03611426 0.166038149 0.141314924 0.201252374 0.321140313 0.287299001 0.180886344 0.140083012 0.017877478 1.245448625 1.763001912 0 0.187794298 0.37477392 0.380988396 0.555119777 0.111718847 0.209914019 0 0.213733547 0.381161101 0.102684741 0.183048881 0.093881589 0.61282654 0.240212009 0.171075127 0.326931563 0.159629857 0.17096618 0.080255991 0.051068708 0.070201944 0.103971589 0.077431288 0.149044541 0.069742136 0.189054782 0.102944486 0.293023097 0.248096099 0.930774982 2.240949929 2.437784752 1.069021292 0.216460364 0.203423184 4.639288811 0.230625238 0.215568367 0.129529725 0.136834305 0 2.479608007 2.323131463 0.224868312 5.053857908 1.453570203 0.801963309 3.839359051 1.762938315 3.462146158 3.124712272 2.253631587 1.196690349 0.636795676 0.509019502 1.023293549 5.166707732 0.426486345 0.279315114 1.172112857 0.404442116 0.867603111 0.673383414 0.896823111 0.389974353 0.814140437 0.091864837 0.768580669 0.208612623 0.185076459 0.227531202 6-Hydroxyhexanoate 0.315549833 0 0 0.383647177 0.346264219 0.355355005 0 0 0.176212009 0 0.38791318 0.258673719 0.132496412 0 0 0.116536754 0 0.092495396 0 0.169308938 0.173904428 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.073662367 0.189459344 0.301689 0.439045155 0 0.217405057 0.235943886 0.15709666 0.131651146 0.227655615 0 0 0.128539418 0.196836556 0 0.123543611 0 0 0 0 0 0 0 0 0 0 0 2.610461872 5.097537142 1.728254032 2.067463189 3.278088832 0 0.032154061 0 0 0 0 0.076640737 0 0.095232208 0 0.161395472 0 0.19394704 0.109796677 0.22137769 0.076316947 0 0 0 0.109061499 0.670364144 0.117976951 0.139430353 0.173758485 0 0.281892127 0 0.250259763 0.179567158 0 0.108772928 0 0.173196478 0.112949747 0 0 0.305110371 0.189469213 0 0.103081234 0 0.19587671 0 0.397565425 0 0.247954572 0.222092657 0.115879267 0.210605658 0 0.207772992 0.107310485 0.155405166 0.233082084 0.092579411 0.089455695 0.097611102 0 0.163516193 0.260061849 0 0 0 0 0 0 0 0 0.083928411 0 0.098783889 0 0 0 0 0.21172394 0.090156596 0.132314127 0 0 0 0 0 0 0 0 0 0 0 0 0.106072798 0 0 0 0.194470549 0 0.301742729 0.255293865 0 0 0 0.200319219 0 Hippurate 0 0.090733848 0 0 0.108941953 0 0 0 0 0 0.115462997 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.102447541 0.164383225 0 0 0 0 0 0 0.047957063 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.019397778 0 0.028109907 0 0 0 0 0 0 0 0 0 0 0 0 0 0.030641297 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 0.080576428 0.160133002 0 0 0 0 0 0 0 0 0 0 0 0 0.205379304 0 0 0 0 0 0.103080001 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cis-Aconitate 0 0 0 0 0 0 0.00578269 0 0.005209019 0.006775083 0 0 0 0 0 0 0 0 0 0 0 0 0.005796485 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.002900057 0 0 0 0 0 0 0.006361454 0 0 0 0 0 0 0 0 0 0.013626904 0 0 0 0.010573167 0.006819209 0 0.011650452 0 0 0.020583852 0.017303785 0.02384678 0 0 0 0 0 0 0 0 0.004989469 0 0 0 0.006035189 0 0.005996606 0.012288042 0.007537435 0.01114338 0 0 0 0 0 0.008178236 0.011460388 0 0 0 0 0 0.004968705 0 0 0 0.080712734 0.005355014 0 0.004927595 0 0.005744811 0 0.007293673 0.003143699 0 0.004413553 0.005539969 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.002141433 0 0.006040846 0 0 0.003319899 0 0 0 0 0 0 0 0 0 0 0.004648611 0 0 0 0 0.011334646 0.011317218 0.006520777 0.013249579 0.00737597 0 0 0 0 0.020625668 0.006608248 0 0.042918806 0 0.008281257 0.003550033 0.005893224 0 0.012081548 0.005545412 0.009357547 0 0.008514566 0 3-(4-Hydroxyphenyl)propionate 13.18841391 10.34592209 2.726477601 9.54623115 2.980012656 4.597455328 2.104411132 4.997915296 2.735529662 2.761096367 2.538637267 2.323113258 7.098592177 2.363253769 1.464727516 4.871555255 7.049140026 0 6.884930343 0.22449986 0.750437677 4.641623173 2.456537628 2.798924926 2.554766809 2.199630667 0.764831567 3.202899214 1.183651455 0.976091951 0.66125025 0.830019078 1.746507163 2.404027124 2.604836823 3.306538396 2.51697055 0.371960377 3.841821291 0.63485859 6.978912545 3.364858608 5.481183683 1.685822594 4.456314851 4.838599971 0.849494092 4.046031594 1.422947941 0.463955832 4.546554975 2.417559908 2.239979853 3.761314056 5.694320436 1.143412311 3.660662872 0.787871473 1.370879388 0.293164816 1.436797526 1.266413376 1.200015156 0.623443888 1.346947777 0.091788092 1.318653255 2.947879375 0 0.703547973 0 0 0.667630581 5.423208883 10.30802019 4.61571376 8.2716377 5.9320975 28.36714755 0.676211209 4.331973895 6.14367968 5.669353542 3.494939025 5.122839874 5.999128581 3.815337514 5.413625589 2.036973647 2.376123941 5.683345711 4.134304651 4.156909405 5.778439495 1.861817433 4.058586346 0.588107819 0 5.592419366 7.15652191 1.77703645 3.449604408 2.092208032 4.49449107 0.787973646 10.18808369 5.285601316 1.863749769 4.964791223 0 3.91116691 0 3.00625077 2.483985663 7.269287273 6.838783395 0 1.615643964 0.62811644 0 0.640154561 0 0 0.600317076 0.810572913 0.856433365 0.322359328 2.209523489 2.336577554 1.318388215 3.626315094 7.961759591 1.886365106 4.146321903 1.259721181 0.18089787 1.257544096 0.771485625 1.385317783 2.229865276 0.738913035 2.038796994 2.053859808 2.396449936 2.897591631 1.369893696 6.981363124 5.208478178 5.342777934 4.285652528 5.30974449 4.80040933 2.398442323 0.377132059 0.803030647 2.205344583 3.196027958 3.95423628 3.41925205 3.658837283 7.308445802 1.601821892 3.465437222 4.716189271 0.995873305 8.41939017 3.989949069 5.508848979 3.81919012 5.093299366 6.708267556 5.065739643 4.701354812 6.777810874 7.674383149 4.737607348 2-Hydroxy-4-methylpentanoate 0.201737796 0.283167097 0.146458736 0.243857751 0.224178984 0.123180076 0 0.495632827 0.256880618 0.313847576 0.250515694 0 0.011857364 0 0.067253423 0 0.020305662 0 0.052051919 0 0 0 1.558759073 0.938459011 0.895652633 2.830829305 0.120733822 1.17512321 0.574838582 0.829272547 0.513121422 0.978505662 0.034164364 0.172912977 0.333857157 0.100309031 0.350265758 0.568723081 0 1.454799204 0.016394314 0.012176752 0 0.057174818 0.045742512 0.058878025 0.114821909 0 0.015661726 0 0.010215484 0 0.495494379 0.010009357 0.01617049 0.101212786 0.213820813 0.349400047 0.502590052 0.580026203 1.742259568 0.24044892 0.421098712 0.968866168 0.027801942 0.778511118 0.325278432 0.182844555 0.183237191 0.185258742 0.01266822 0 0 0.268548008 0.343261235 0.07131016 0.191111077 0.015098301 0 0.021268552 0.341086582 0.174624277 0.90393474 0.277575628 2.935252325 0.159113621 0.253667413 0.050894278 0.067193012 0.070827635 0.088002657 0.143589727 0.133558687 0.908000423 0.010008821 0.015304234 0.011517686 0 0.098149202 0.013493994 0 0 0.155792794 0.348695857 0 0.007736926 0.048778574 0.153605054 0.069038192 0.008303982 0.014035542 0 0.029774769 0.054174095 0 0.011890992 0.008177292 0.269389791 0 0.061502408 0 0 0.010098724 0 0 0 0 0 0 0 0 0.019817936 0.053837355 0.046432345 0.107242627 0.199389278 0.170888866 0.244095803 0.042139882 0 0.523330389 0 0 0 0 0 1.169835554 0.83496738 0.007779509 1.567996326 0.205487192 0.086036923 2.317650077 1.804865826 3.457728303 1.692604545 0.579518229 0.170788627 0.076723113 0.358766965 0.373151568 2.18459003 0.083423557 0.036237551 0.147640831 0.051053263 0.316228915 0.176379561 0.3086882 0.116971132 0.113166479 0 0.16851165 0 0.013197579 0.029969877 IMP 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 0.021082166 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 0.028672438 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 Itaconate 0.033761093 0.013578763 0 0 0 0 0 0 0.008016162 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.004532111 0 0.010784806 0 0 0 0 0.010716904 0 0 0.00264303 0.00879948 0 0 0.006559997 0.013407712 0 0 0 0 0 0 0 0.007954432 0 0.010545603 0 0 0 0.010163904 0 0 0 0 0 0 0.010845087 0.012369069 0 0 0 0 0.012070617 0 0 0 0 0 0 0 0 0.023888308 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.010828703 0 0 0 0 0 0 0 0.03451611 0.006389274 0 0.009122772 0 0 0 0.003194595 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 0.003753045 0 0 0 0 0 0.016832321 0.006194222 0 0 0 0 0 0 0 0 0 0 0.00597562 0 0 0.010091253 0 0 0.009185195 0 0 0 0 0 Isobutyryl CoA 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.002783795 0 0 0 0.005942706 0.005544341 0 0 0 0 0 0 0 0 0 0.038375607 0 0 0 0 0 0 0 0.002425402 0 0 0 0 0 0.016162897 0.03736666 0 0 0 0 0 0 0 0 0.003167772 0 0.009679993 0.009393128 0.012636159 0.012907287 0 0 0.008849605 0.005358146 0 0.019344425 0.011969244 0 0 0.004790347 0.013162656 0.017643155 0.027039477 0 0.003706919 0.015141578 0.023305849 0.003819641 0 0.006639046 0.0086544 0.011146688 0.004699631 0.003067938 0.01713053 0.017942652 0 0 0 0.013490483 0 0.006163762 0 0.003763419 0 0 0 0.009181816 0.010753921 0 0 0 0.003207742 0 0.024282069 0.022133209 0 0.024850905 0 0 0 0.002915973 0.030514654 0 0.003219389 0.003267882 0.023803283 0.008949357 0 0.003893829 0.017898656 0 0 0 0.002738325 0 0.002939285 0 0.00645572 0.009184982 0 0 0 0 0 0 0 0 0 0 0.021415555 0.015016812 0.016280481 0.021755746 0.036809982 0.007507378 0 0.00270622 0 0.005301798 0 0 0 0 0 0.00566764 0 0 0 0 0 0 0 0 0 0 0.007291427 0.021200189 0.005628133 0.02648745 0 0.014504249 0.024037854 0.016653462 0.00991435 Isethionate 0.02029302 0.266859638 0.051458667 0.021541169 0.076349863 0.137999525 0.034657512 0.038182645 0.033421315 0.367835892 0.284352082 0 0.011125652 0.01227185 0 0.020323105 0.016711494 0.027730084 0.02624979 0 0.007834736 0.01659281 0.089824216 0.072345303 0.092652735 0.838794138 0.083779896 2.070919046 0.093503048 0.052464344 0.072920906 0.062649899 0.184060748 0.760363539 0.503766855 1.010819469 0.121020225 0.035244748 0.030035831 0.041539535 0 0.011977479 0.016256685 0.009799045 0.015475688 0 0.199879709 0.01449032 0.015257617 0.008507199 0.034086011 0 0.021863219 0.013353124 0 0 0.022393256 0.045167149 0.303430087 0.173980615 0.174333655 0.073094555 0.138716012 0.094623878 0.109673172 0.53031303 0.091070171 0.506843952 0 0.0118647 0 0 0 1.605810109 0 0 0.022021637 0.013791415 0.015652777 0 0.037795011 0.01607291 0 0.015549301 0.05793124 0.036199387 0.017043686 0.016539385 0.230855589 0.156070394 3.211205556 0.070242721 0.282540257 0.554536425 0.010195144 0.016926353 0.026420938 0 0.983226463 0.02067556 0 0 0.299083835 0.011543382 5.379234015 8.189261945 1.625279433 3.96365363 4.926445748 3.254217359 1.446566485 1.087710401 1.223308608 0.135523097 12.80637229 3.107527772 7.637101094 1.189283776 0 0.031652525 0.019125326 0 0 0.014800333 0.055902017 0.155995822 0.069906076 1.532552431 0 0.0197266 0 0 0.00920646 0 0.081882899 2.097092801 0.06653374 0.920447229 0.012528307 0.01750417 0.196039987 0.014909036 0 0 0 0 0.02048325 0.014108562 0.009318247 0.030255386 0.009471532 0.011764796 0.152913668 0.060995276 0.117713347 0.18213473 0.153928147 0.109859855 0.345270348 0.152579436 0.150704704 0.400720185 0.187160252 0.215520726 1.223581593 0.367210863 0.109616995 0.866066542 0.13424895 0 0.302257318 5.634390053 0.360324917 0.168666281 0.164374505 0.180007988 3-Indoxyl sulfate 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 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 0.027043889 0.012746283 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.053401847 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-Oxoadipate 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 0.024213778 0.010748671 0 0 0 0 0 0 0.036023876 0 0.045980357 0 0 0 0 0 0 0 0 0 0.024872247 0 0 0 0 0.053347671 0 0.026124442 0 0 0 0 0.015945079 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.013939095 0 0 0.011781703 0 0 0.058890394 0.027704615 0 0 0 0 0.052432846 0 0 0 0 0 0.073065707 0 0 0 0 0 0 0 0 0.020218375 0 0 0.034957932 0.023751722 0 0 0 0 0.023983135 0.02029818 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.024908142 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 0.019959624 0 0 Lactate 1.845339419 2.970487364 8.409202092 3.143579167 8.207974063 2.539963462 1.627171506 3.194691525 25.64784326 4.198583974 3.066551182 1.331418529 1.489873245 1.237913872 1.504572692 1.502036333 1.505803858 1.190496901 2.069358676 0.920265591 2.459687801 2.375129386 1.771968875 2.085913708 2.346710668 1.534900512 1.368559359 1.461511809 1.283035682 1.535065709 2.139548105 0 1.613491634 7.629220788 13.91438521 1.388784811 14.16605688 1.197873953 1.405250246 1.471577384 1.618284227 2.788785895 1.250998507 1.139939412 1.675375091 1.248131413 1.55040858 3.123495144 1.105288467 2.778444553 1.326906807 0.783972775 9.074305356 0.98466513 1.752976076 3.642265976 3.877855618 1.310759091 0.817334838 116.5163949 2.045603834 0.898880224 25.16949206 30.07229065 1.599884974 178.3242558 32.87129271 17.47219536 1.716611316 1.253317023 1.504376119 1.397845983 1.163600227 2.701762404 2.868906115 4.67172721 2.798760628 1.53120741 1.574420255 1.935643766 1.623888848 1.897829257 1.847366018 2.788161985 1.65383844 3.588089357 57.24057262 2.347546683 1.303353379 1.270208617 2.488799531 1.689071703 12.18150957 2.038164333 1.515436433 0.988460624 2.469649638 1.146761654 1.615975939 1.529696933 0.92726914 1.486668216 2.077654077 2.237591804 2.136723949 1.301534029 1.092404728 52.35221591 4.644005215 1.592288566 1.856281426 1.679634464 2.511156894 2.146311159 0.954417597 1.791564084 1.096489879 3.347319308 1.285140368 1.48488147 1.530380203 1.168766615 2.251643299 0.647787035 1.134007702 1.137820224 1.047832364 1.072688311 2.114033998 1.458053915 1.09352069 1.776633534 1.646727866 1.991126689 6.257525151 9.311237101 2.080026332 8.856406147 1.803639585 1.442189367 35.69011269 2.314197497 0.983056592 1.463773232 1.353825892 1.074523119 3.108355306 1.241357708 1.695623113 1.876880533 1.6652527 1.498745413 2.001025811 38.54086031 13.13191122 2.301974929 2.118187045 2.269120455 1.707658691 3.38584269 1.788584985 52.47993577 1.62146094 1.581613305 6.744967596 1.400448037 1.529902732 1.308910744 3.955337799 1.584517159 2.055424548 1.46907231 1.661037614 0.928055004 1.099533158 0.986361293 Malate 1.884457157 1.915330528 1.234669867 1.542401015 2.448746233 1.614604831 1.465601032 3.780950885 1.60898433 1.786653548 1.575080243 0.137806268 0.139697851 0.124258678 0.21684494 0.149046327 0.209569959 0.061232659 0.160983656 0.089420725 0.111130121 0.129729188 0.173329688 0.480392175 0.106950167 0.22622292 0.214698248 0.304782734 0.396399126 0.520824583 0.393236259 0.156411374 0.141771382 0.563605454 1.543327649 0.311583962 0.62327816 0.076146191 0.171808513 0.222495328 0.516157964 0.346591907 0.155048677 0.081069779 0.2335483 0.121967326 0.152944479 0.095345221 0.089185706 0.180764332 0.102721761 0.068487111 0.737088678 0.327436934 0.39430167 0.353529785 0.288662981 0.080953108 0.128509303 0.052734761 0.128065016 0.112025743 0.221989375 0.094754905 0.254660942 0.12440725 0.144094985 0.14868888 0.159826143 0.522381571 0.105050623 0.059506105 0.081675828 0.263403886 0.19411065 0.143179918 0.196426357 0.13421979 0.100169454 0.074088642 0.224883247 0.202934924 0.346379696 0.339215685 0.142627242 0.104874165 0.573912336 0.136623969 0.144198617 0.126997954 0.139054473 0.284174595 0.261197006 0.163455313 0.181027188 0.462057337 0.11619329 0.458127565 0.264430882 0.095977918 0.049440366 0.097191561 0.210054603 0.214986676 0.078339553 0.120920823 0.346410245 0.280726987 0.132349347 0.057687147 0.167158851 0.14704795 0.209977384 0.117559655 0.171561918 0.101730824 0.090142251 0.349367137 0.064320465 0.134110313 0.234429771 0.059164072 0.227269376 0.01944229 0.031107547 0.070530317 0.07478449 0.050245314 0.123477049 0.029296014 0.139563919 0.143332215 0.31745912 0.76975406 0.286686725 0.365397495 0.066457179 0.324257821 0.247118497 0.102447702 0.375969904 0.117955497 0.074910087 0.224655737 0.224514908 0.079289807 0.280252355 0.222799761 0.111809941 0.096601157 0.149361286 0.050122098 0.999633294 0.231566302 0.190977477 0.225439671 0.300128691 0.201435635 0.13218054 0.353792618 0.16127602 0.175806504 0.28417496 0.281831048 0.51453353 0.06433123 0.186183847 0.168318208 0.281693125 0.188310883 0.230863999 0.155849873 0.134132904 0.091857721 0.188930552 0.132768564 N-Acetylglutamate 0.524399685 0.29965679 0.29952622 0.34182288 0.395381166 0.235922253 0.264895497 0.217679287 0.277366344 0.308908193 0.214990169 0.876702222 0.927661718 1.101666182 0.296626114 0.753802144 0.492487171 0.512323912 0.334253598 0.455599153 0.978864661 0.460030244 0.294330713 0.330778447 0.305762999 0.549358242 0.214988933 0.321921597 0.356702946 0.36424406 0.564693948 0.695242882 0.175919346 0.290173848 0.249654504 0.260211416 0.245515939 0.173354164 0.337838741 0.063299861 0.586624959 0.481593843 0.391208126 0.499239775 0.655997097 0.276416056 0.324911433 0.489168649 0.368007131 0.375377967 0.383816591 0.419545092 0.388573487 0.745415613 0.410872342 0.222548423 0.135525884 0.432152748 0.283825277 0.698386497 2.084566081 0.374960431 0.452898467 0.341183862 0.306388931 0.46896309 0.861701312 0.493641887 0.649142174 0.682033345 0.528426144 0.80481637 1.279744573 0.448684487 0.270466076 0.423667857 0.375169268 0.505584368 0.567153549 0.562652768 0.479858543 0.537576113 0.497915399 0.374122588 0.39540661 0.2951261 0.303640639 0.600939547 0.448908222 0.467526261 0.447557492 0.404643047 0.426716418 0.527446907 0.524397849 0.781727649 1.182451641 0.445404136 0.556386254 0.764404587 0.210566651 0.497313123 0.41620565 1.083447599 0.933157204 0.507647909 0.156663438 0.394235723 0.272491141 0.550466061 0.545127582 0.531139019 0.354723126 0.213012312 0.849524283 0.564588467 0.821776682 0.68405563 0.879978356 1.09324731 0.942243744 0.821630607 1.014223743 0.076662891 0.086256491 0.297220719 0.135380692 0.350867361 0.295419454 0.185204658 0.545588103 0.510690493 0.316276372 0.219495657 0.241727603 0.247826973 0.133569732 0.195267152 0.391064382 0.477404961 0.325834309 0.25090841 0.244042251 1.230939155 0.826983397 1.110119037 0.173812606 0.260832963 0.452346111 0.432616748 0.529078275 0.354267416 0.213144327 0.11606209 0.112010491 0.211882511 0.16349053 0.365038937 1.000450738 1.080332435 0.778510085 0.747733562 1.042132342 0.971221203 0.478460428 0.964579707 0.792518474 0.310346049 0.281295655 0.386744934 0.505377339 0.625762175 0.388221614 0.441953005 0.821068371 0.470122555 2-Oxoisopentanoate 0.097892267 0.025555462 0.201727974 0.103425383 0.051373469 0 0.10096243 0.622788929 0.072126212 0.66181642 0.092396295 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 0.087034243 0 0 0 0.037766569 0.025477043 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.059113626 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 0.034438764 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.136474577 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4-Methyl-2-oxopentanoate 0.415759807 0.131340589 0.695031761 0.656041562 0.280943816 0.059294701 0.350450184 2.239302616 0.163844567 1.882462684 0.375226467 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.017051664 0.076687693 0.020261694 0.065284236 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.015491749 0 0 0 0 0.013529894 0 0 0.022426261 0 0.020540736 0 0 0.100416917 0 0 0.089636875 0.178065381 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.005309248 0 0 0.038178485 0 0.030910481 0 0 0 0.029619513 0 0 0.002324135 0 0 0 0 0 0 0 0 0.014210748 0 0 0 0 0 0 0 0.015761652 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.019264325 0 0 0 0.034477889 0 0 0 0 0 0 0 0 0 0.020421521 0 0 0 0 0.050355013 0.055527637 0 0 0 0 0 0.807127166 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Malonate 0.233159536 0.263239939 0.3858949 0.461909998 0.35212019 0.195083183 0.147109696 0.217851606 1.134740173 0.690010787 0.478476509 0.111683407 0.126402283 0.098834454 0.251255863 0.096652651 0.112976588 0.076786513 0.167299178 0.073429787 0.095011118 0.12346327 0.246618911 0.228522768 0.136716075 0.258770396 0.297212143 0.247181046 0.175855439 0.229745139 0.3907823 0.354825911 0.686241689 1.063102403 1.076186008 1.300649808 1.118231384 0.643255953 0.232587479 0.383163058 0.432007205 0.1950843 0.072861471 0.058848762 0.099180675 0.116181441 0.732982836 0.085641661 0.08662156 0.057391189 0.06484091 0.049090672 0.525583956 0.107858677 0.160620178 0.218680524 0.09755408 0.081623629 0.050723743 1.027073176 0.757356287 0.072944173 0.509615767 0.240063372 0.071338694 0.971433683 1.15349381 0.452390853 0.078878624 0.10154514 0.09478497 0.065399201 0.129614298 0.294967924 1.066327336 0.174768791 0.161927928 0.070320856 0.158140277 0.090664409 0.261602801 0.102959528 0.235851365 0.490122513 0.196111797 0.331510755 0.714778206 0.137309438 0.074633179 0.104976646 0.070446107 0.102853838 0.391221576 0.232429473 0.073671833 0.122948489 0.093747446 0.047209227 0.76252417 0.102332494 0.071220745 0.104264926 0.513868332 0.279490326 0.229742313 0.268331158 0.656022395 1.628638792 0.602552931 0.09676028 0.481595233 0.125176146 0.688154498 0.728952746 0.171453972 0.548453127 0.358669349 0.616592272 0.103351369 0.065502148 0.111328346 0.074694045 0.079568524 0.04780877 0.035423921 0.057477716 0.044008487 0.055274898 0.059107734 0.039918754 0.09602978 0.060534193 0.125347144 0.175918119 0.136002462 0.373549268 0.103676361 0.210553375 0.078439439 0.074373708 1.189988257 0.086865242 0.072673946 0.122729012 0.10599872 0.059091632 0.1204082 0.08061157 0.11476991 0.091883737 0.091251643 0.061651188 0.562947572 0.532695441 0.425157335 0.387996659 0.756453632 0.251270416 0.209327483 0.245456997 0.267191346 0.29527943 0.356615321 0.226995795 0.71729368 0.144029138 0.279664808 0.821257229 0.834881442 0.114777233 0.816710766 0.277791514 0.498371037 0.496003215 0.406995176 0.393239476 Methanesulfonate 0 0 0 0 0.058540311 0 0 0 0 0 0 0 0 0.077984797 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.056725013 0.159801968 0 0.247828608 0 0 0.087587688 0 0 0 0 0.114707763 0 0 0.085872449 0.055942836 0 0 0 0 0.226814251 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.116433744 0 0 0 0 0 0 0 0.1668081 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.143336334 0 0 0 0 0 0 0 0 0 0.199317078 0.132146977 0 0 0.130454074 0 0.275433379 0 0 0 0 0 0 0 0.103227971 0.200333258 0.31618165 0 0 0 0 0 0 0 0 0 0.088386267 0 0 0.065064408 0 0 0 0 0.276495679 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.101661978 0 0.10752248 0.074687156 0 0 0 0 0 0 0 0 0 0 0 Nicotinate 2.527671508 1.953912784 1.291246043 1.940314468 1.655269783 1.655318491 1.394094269 1.327211918 1.389932388 1.310931189 1.285337451 0.913031992 1.108900058 0.88318814 0.65652367 0.956689509 0.724126078 0.386831711 0.966766938 0.402685276 0.631439641 0.284413577 1.122364051 0.496593552 0.975701 0.58142273 0 0.990762758 0.627582606 0.462844484 0.786093353 0.239200668 0.726897279 0.732213231 0.8490342 1.502006151 0.234564382 0.43826518 1.420861141 0.668645557 1.416676486 0.639700954 0.635721352 0.525655451 1.2357496 0.792268302 0.328195624 0.629158207 0.38089528 0.382484659 1.284678886 0.684560121 0.426653126 0.701767432 0.515861842 0.322513962 0.31783365 0.143549385 0.21763217 0.264470426 0.188724063 0.40452038 0.4763773 0.195881932 0.397634435 0 0.186367491 0.316856983 0.865252323 2.073965982 0.442833359 0.328544094 0.234539526 0.565953117 0.878902447 0.867320826 0.565452096 0.538998415 0.616965041 0.564167474 0.716462267 0.618486682 1.051736492 0.681458953 0.325460514 0.308730473 0.263599814 1.114039311 0.555332863 0.326846187 0.583714984 0.862588472 0.542558479 1.135289875 0.408472162 1.456274618 1.32796997 0.596344907 0.556255837 0.494122747 0.356328832 1.146101066 0.528638725 1.070997504 0.25146936 0.406792946 0.310250876 0.297187803 0.32244504 0.196879633 1.211144378 0.435186397 0.352675886 0.09344346 0.927782214 0.70617757 0.502234657 0.97511983 0.414400784 0.905942288 0.772161308 0.664360566 1.540990443 0 0 0.126132037 0.09929662 0.161141013 0.604806414 0.099633561 0.74389172 0.785399942 0.758582111 1.258415836 0.566976227 0 0.236300814 0.28766703 2.404137216 1.076968546 0 0.921549865 0.494225365 0.867277145 0.99225427 0.5773399 0.889755077 1.008077638 0.778884196 0.965134575 0.576748267 0.346319307 1.091488763 0.335889099 0.315714259 0.622903426 0.473560811 0.718873901 1.096306986 1.474869225 1.420671094 0.545997973 1.132295736 1.427174383 0.308714397 0.994645539 1.0835188 0.282553425 0.20713892 1.31504501 0.618932389 0.366575691 0.679355796 0.347747126 0.63882111 0.67126471 2-Oxoglutarate 0 0 0 0 0 0 0.028766265 0.494880401 0 1.289860172 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 0.342127127 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 0.080990895 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 0.162611579 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Propionate 59.01342026 54.02597805 66.6456367 84.62667228 36.43312699 56.99343575 39.89563881 77.35723947 32.91642014 77.4050699 63.10883879 123.1065551 71.51494576 66.1935549 92.566215 92.12701154 103.4737312 50.18766442 71.80468449 44.62747247 47.03260106 101.891067 93.22815814 164.6687818 30.88261434 113.8921259 103.518063 47.9733656 110.033165 123.3696897 156.613282 99.1858502 119.3173309 64.40778659 138.3729723 96.58269121 51.23683827 70.50444804 70.6556046 70.60122205 110.3586558 44.20091206 70.26228807 44.1720193 78.54296585 101.1080068 44.46959263 37.54805849 20.15461752 12.96971559 69.55337485 33.2407496 70.36268572 86.54817142 112.2455456 70.43354577 65.28830057 4.058102247 22.53599199 1.901597228 20.47836837 36.96430475 59.18472454 28.01399037 31.2610114 0.350474589 21.97086304 39.87062825 18.14349243 37.24830927 32.7427735 32.89211275 66.99630979 79.19064995 113.3889029 109.2947181 70.93330405 57.3113253 107.9757158 82.11889969 189.1016009 131.7977755 143.4089167 92.43330763 115.4790965 92.52146733 54.68892267 119.3224714 59.53958905 78.58216058 60.81041526 159.2937468 80.4842712 106.6209274 42.4671838 39.57772146 72.5176665 44.60476972 143.2833573 93.3943401 39.7023686 39.24412569 93.54685375 163.4967166 41.36765906 46.94386187 32.40065717 16.3410928 28.59656751 53.77758545 144.4016117 53.31678063 48.00988552 13.50292194 41.08855396 63.50905557 50.25657629 95.09166955 83.69393229 37.41515411 61.48190926 88.82269269 41.79851705 16.44170694 9.215987713 22.93540141 15.57730305 31.64197759 22.50398546 11.91854609 57.08559943 43.34253204 48.47167928 38.78185609 86.80526536 124.1171195 431.1932203 139.5796026 126.3105419 69.53906402 230.2504273 89.45487224 91.95212145 57.59341931 85.67167432 33.48829943 29.4765021 77.542835 109.3061236 47.62967208 78.55914635 49.88495993 75.882085 14.55811447 38.08137553 54.4491737 66.16151573 72.53089325 66.4851274 46.32346752 105.8112241 46.60752593 44.98595464 84.03672219 27.49073191 55.61232711 96.4648582 84.13998547 23.41216606 133.2780105 78.08258658 39.42647825 115.6628226 102.3574524 38.94397051 67.31736952 Pyruvate 0 0 0 0 0 0 0 0 0.53557431 3.008709471 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 4.134340526 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 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 Pantothenate 0.665496889 0.308589567 0.319349482 0.53055693 0.486263938 0.354317956 0.350273575 0.627747239 0.27677428 0.379646656 0.470386393 0.155368306 0.26751049 0.352976005 0.082955609 0.162521134 0.135739424 0.063601892 0.124179246 0.044651564 0.122932526 0.053863778 0.42886884 0.191185986 1.357920316 0.260816205 0.142388163 0.763605636 0.309374618 0.223217309 0.25159981 0.150533861 0.33459318 0.199375986 0.497139361 0.794433695 0.180314366 0.063333595 0.066891538 0.200494106 0.117942787 0.069929595 0.162905122 0.07050959 0.124097497 0.098549081 0 0.102865805 0.063237663 0.056178472 0.138124359 0.119500861 0.192494126 0.169029253 0.088849138 0.056469605 0.07463918 0.026851499 0.063290684 0.032429709 0.022623825 0.094191354 0.055656703 0.025937568 0.047150978 0 0 0.051652603 0.275542797 0.460719754 0.051582556 0.044846972 0.059892536 0.075681691 0.124068535 0.059585036 0.037689632 0.033833411 0.034673882 0.038663033 0.046448673 0.047317542 0.184173628 0.05064841 0.048620335 0.034887553 0 0.113507441 0.046359497 0.051101177 0.049670867 0.158545169 0.072081906 0.253144463 0.039160631 0.293805875 0.324438677 0.172540471 0.133523735 0.103226224 0.045964209 0.514021285 0.262816374 0.257528453 0.15023286 0.08569916 0.055469501 0.03529474 0.014947146 0.078174735 0.308909754 0.165173122 0.057094166 0.008150668 0.253898899 0.072483843 0.132764442 0.10055183 0.049648469 0.29450164 0.078284895 0.08170352 0.246273192 0.008165209 0.018456706 0.046704835 0.031040512 0.058554322 0.069708823 0 0.13313934 0.159704664 0.169297139 0.09564747 0.13065753 0.076529628 0.5891037 0.093718064 0.371179616 0.130472295 0 0.056204936 0.068697588 0.191486416 0.090350308 0.070085339 0.120926136 0.189434865 0.070068045 0.079261647 0.082002886 0.0373507 0.118458117 0.025156905 0.073042844 0.097054832 0.077773455 0.057094341 0.111817287 0.33135584 0.21634629 0.028473942 0.133784819 0.113892655 0 0.085320096 0.100182169 0.05114609 0 0.135610351 0.062002902 0.077989828 0.132228357 0.043471663 0.122568669 0.073405925 Phenaceturate 0.496226541 0.32079601 0 0.049425998 0.102527902 0 0 0.034421475 0.089170226 0.094323448 0.076243192 0 0 0 0 0 0 0 0.017335962 0.042674566 0 0 0 0.191300072 0.041296843 0 0.218791074 0.026359634 0 0.019707987 0 0.031724075 0.020345419 0.05054578 0 0 0.020405096 0 0 0 0 0 0.26586783 0 0 0 0.936114366 0 0 0 0 0 0.127752737 0 0.044299459 0 0.183685732 1.135538587 0 0.495495444 0.698734976 0.069717066 0.063057342 0 0 0.093987324 0 0 0.241467281 0.345338969 0.191926183 0 0.127128257 0.446771527 0 0.043523581 0 0 0 0 0.070552138 0 0 0.055480132 0 0 0.060194052 0 0 0.07310013 0 0.03316717 0.055949903 0.077626325 0 0 0 0 0 0 0 0.163686629 0 0.034442443 0 0 0.625791692 0.180906007 0.520495125 0 0 0 0 0.091058505 0.08344324 0.139320904 0 0.068757933 0 0 0 0 0 0.24195205 0.089421893 0.157395153 0.035240636 0 0 0 0 0.012204129 0.038490041 0 0.040152784 0.228031709 0.169133356 0.392737396 0.146559396 0.052817516 0.387377519 0 0 0 0 0 0.98856473 0.033930242 0 0.012027758 0 0 0.042949361 0.11109354 0.060570049 0 0.02824618 0 0.017771593 0.006986913 0.105927848 0.248226494 0.03654426 0 0.149379941 0.352193334 0 0.829505876 0.125598046 0 0.347260947 0.032542102 0.084470917 0 0 0 2-Aminoethylphosphonate 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 0.403103691 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 1.034793388 0.689313414 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 O-Phosphoserine 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 0.010219443 0 0 0 0 0 0.042440964 0 0 0 0 0 0 0 0 0 0 0 0.018326768 0 0 0 0 0 0.018950627 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 0.013592586 0 Pimelate 0.464203659 0.395369639 0.276137483 0.515428385 0.367029031 0.318814148 0.190500521 0.256182967 0.513541955 0.510650581 0.645972154 0.663498093 0.586895381 0.341432196 0.128383841 0.682887541 0.432724616 0.326957569 0.252440353 0.352556649 0.972400516 0.38895438 0.1999129 0.07809666 0.117157265 0.139516319 0.061354141 0.094478158 0.207702073 0.368594579 0.638254771 0.320863704 0.065034944 0.047804612 0.070489417 0.081861727 0.043033475 0.044656682 0.154080772 0.068662066 0.188260221 0.381146104 0.198687973 0.405226181 0.462751756 0.336860516 0.287164656 0.240829034 0.322137727 0.465746156 0.580913323 0.281037596 0.048253729 0.095251129 0.04794995 0.034494402 0.030731563 0.09115906 0.079314968 0.088804145 0.181630525 0.102628041 0.072456944 0.092687508 0.194913985 0.303353839 0.261539133 0.306643293 1.692802004 1.673850768 0.740323256 1.496058295 1.639791672 0.43332112 0.360323434 0.188593334 0.311315273 0.271294336 0.54555926 0.484964869 0.283454479 0.426826134 0.452314656 0.264455022 0.648296158 0.596674938 0.291466451 0.717063689 0.193291827 0.229224619 0.291654775 0.258396564 0.36245201 0.502327296 0.39544942 0.354813852 0.57653731 0.401111628 0.384878501 0.372920847 0.07661316 0.054396471 0.025554268 0.042227297 1.065469368 0.709310913 0.368822303 0.148557321 0.30948022 0.900675008 0.674629205 0.743762137 0.373126191 0.246597602 0.595780633 0.653579134 1.000915209 0.644799819 0.971206099 1.825584684 1.234747128 0.805734208 0.814366789 0.214495455 0.285599636 0.623460358 0.389571879 0.600501755 0.371106193 0.284743229 1.882363508 0.312612856 0.643596606 0.19119347 0.244021557 0.051185401 0.126307915 0.086292547 0.16240503 0.245392913 0 0.459180751 0.253554492 1.091067119 0.867962921 1.078818037 0.214800539 0.133294471 0.397179382 0.516764519 0.736638784 0.287086014 0.10219719 0.03639845 0.037229543 0.066826603 0.190091782 0.211038985 0.023737583 0.031250054 0.032896597 0.048350014 0.035027579 0.05844871 0.047732154 0.047950023 0.02742423 0.142202943 0.237842099 0.649079541 0.603313153 0.57176451 0.619763376 0.498048283 0.522509777 0.438308277 Prostaglandin F2alpha 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 0.009976642 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 0.042099132 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pelargonate 0.040146471 0.047862367 0.063845072 0.058701096 0 0.043421718 0 0 0.042122955 0.03616462 0.042591481 0 0.086824286 0.061894647 0 0.070898507 0.04766109 0.064505529 0.091184135 0.074458043 0.081809867 0.078214856 0 0.035335999 0.022661711 0 0 0.036919511 0.037939019 0.045506433 0.033051904 0.038152007 0.038838341 0.028876067 0 0.056858492 0 0 0.071998359 0.043048055 0.064830987 0.076714382 0 0.077538516 0.076594481 0.057218749 0 0.07395283 0.062902248 0.042158704 0.085447428 0.059518031 0.044030352 0.055856462 0.079534699 0.082352826 0.087207214 0 0.039839631 0 0 0.045145744 0.085551259 0.022540663 0.039892178 0.023280729 0.035491731 0.049720019 0.079312833 0.053861546 0.04300182 0.069596864 0.111185542 0 0.037011029 0.08730165 0.068760674 0.050020217 0.06926762 0.057482044 0.040655954 0.048062079 0.037532437 0.065386869 0.035709027 0.096448319 0.084376453 0.092738096 0.061265636 0.045100576 0.085930077 0.083105849 0.077678076 0.089543313 0.031254409 0.046363606 0.106454188 0.065417215 0.06302485 0.0797464 0.043928545 0.078688742 0.061791099 0.108373868 0.074038452 0.047815547 0 0.039396566 0 0.050017698 0.089006199 0.094763589 0.074918792 0 0.072809799 0.059541432 0.069113852 0.058967757 0.075933126 0.088037604 0.075963206 0.08253021 0.079783112 0.026167508 0.01925891 0.02431953 0.031962894 0.050458274 0.044157385 0 0.022348466 0.066985853 0.061919223 0.059974628 0.054573075 0 0.046624256 0.063722249 0.077269465 0.061325376 0 0.039295929 0.03542576 0.043693912 0.044821152 0.063133073 0 0.051015603 0.101509572 0.050592255 0.07748433 0.072813921 0.023453818 0.034701042 0.029314177 0.027244588 0.066929493 0.065128705 0.057767297 0.064052309 0.039022356 0.028419359 0.061346134 0.043111935 0.039090097 0 0.042490088 0 0.058542556 0.041018952 0 0.057396804 0.066664596 0 0.055298556 0.057274941 4-Pyridoxate 0.050042195 0.055705252 0.023432803 0.060705 0.024295013 0.023986694 0.018103177 0.019745259 0.044854577 0.040312159 0.02265092 0.069871053 0.072696017 0.053884735 0.019492465 0.032802204 0.019925896 0.035210356 0.024115689 0.06070388 0.034941303 0.023359083 0.013081707 0.02965085 0.031726357 0.02260367 0.006847095 0.016162515 0.015119292 0.012758159 0.013449725 0.016377182 0.02429505 0.031741636 0.02685779 0.034795999 0.013972876 0.013657666 0.025070225 0.018923731 0.03407944 0.022894372 0.020510046 0.019874535 0.0356553 0.015795728 0.03077541 0.053573707 0.136459159 0.043912803 0.023266608 0.028686718 0.030107489 0.040608493 0.032475271 0.029259936 0.026801564 0.013571413 0.015143513 0.020144886 0.008714776 0.009075044 0.006880326 0 0.015156974 0.009935677 0.011428665 0.009117028 0.012439357 0.047634063 0.07750377 0.04406235 0.043894944 0.011007296 0.035364076 0.022089288 0.016750166 0.022190384 0.019530266 0.033475456 0.031228258 0.017462211 0.034488349 0.042450737 0.030287903 0.016537833 0.018222282 0.045384268 0.029057473 0.019131314 0.021023489 0.035604054 0.027728175 0.037071626 0.047622993 0.039187642 0.041806816 0.019356294 0.023837171 0.01874322 0.043235289 0.023277766 0.015446103 0.019113852 0.049136108 0.028010405 0.021579511 0.01365753 0.023819354 0.054207359 0.050284518 0.036175847 0.017802053 0.012434028 0.037990704 0.049643189 0.022672368 0.05666251 0.060721454 0.037915538 0.055547253 0.033548227 0.0328141 0.010736183 0.025847093 0.044166875 0.017302028 0.037167244 0.025863928 0.017454636 0.026183062 0.046899945 0.050319724 0.024232452 0.025120809 0.012479107 0.044240237 0.012621707 0.028170878 0.01365649 0.017642648 0.028854341 0.015509644 0.020713474 0.02656162 0 0.0355267 0.035130145 0.032397462 0.054033431 0.04048154 0.028569466 0.018395776 0.008679369 0.010918458 0.013692884 0.013398145 0.013768267 0.032509698 0.023090287 0.038532602 0.034977389 0.048038386 0.034415583 0.022044217 0.040457819 0.015782077 0.0248883 0.026886248 0.0359163 0.014669881 0.010863512 0.038342114 0.018859023 0.030106496 0.014646914 Phthalate 0.043692542 0.022181658 0.012962807 0.021212397 0.022185639 0.02856209 0.023883637 0.028104246 0.017717272 0.023099811 0.01849919 0.021987408 0.028931698 0.034565274 0.015659159 0.02446316 0.024925058 0.027852321 0.021917718 0.026993964 0.032784797 0.021309561 0.016357421 0.009111554 0.009786291 0.015245985 0.010922031 0.017583952 0.016830041 0.016790521 0.017121706 0.01859548 0.034766548 0.023407429 0.022981403 0.0256534 0.019460937 0.011547671 0.023481434 0.018002837 0.034088274 0.025339608 0.016979752 0.021462406 0.03245994 0.026623798 0.026249365 0.010790805 0.048904531 0.029657797 0.020209393 0.014544093 0.060913551 0.029111335 0.026207029 0.025140712 0.018943487 0.028345754 0.015149693 0.018518885 0.014134458 0.011233185 0.016088763 0.012024812 0.014270902 0.017298271 0.015353465 0.017921944 0.020602076 0.024624354 0.031168403 0.026093726 0.035332811 0.024693333 0.012676773 0.022048482 0.016949579 0.026187541 0.022012832 0.021592612 0.025457699 0.018308331 0.024173884 0.03111665 0.023118798 0.018737225 0.019523864 0.030919691 0.014241376 0.012854282 0.026486143 0.023378189 0.023120671 0.021367609 0.026437979 0.032435049 0.026318849 0.018914223 0.022870888 0.0358166 0.019185644 0.029971218 0.027546398 0.030796038 0.021144593 0.024827517 0.021153586 0.018520494 0.020525246 0.027335055 0.028833253 0.024509465 0.024146674 0.013121809 0.036425171 0.023923523 0.036596263 0.021574094 0.019388681 0.01919941 0.021499659 0.018245529 0.019481876 0.026076804 0.017720497 0.032112847 0.013363386 0.022907251 0.026375494 0.017424151 0.020801011 0.025589576 0.047451801 0.016950727 0.01900816 0.013665986 0.025601412 0.014685887 0.011640529 0.014711399 0.017211319 0.028101917 0.020230022 0.034730744 0.03301482 0.027874926 0.030359636 0.025494609 0.03671699 0.011821935 0.028814089 0.013365763 0.011288734 0.011237536 0.012301459 0.014391654 0.022766567 0.019079776 0.022451025 0.022721283 0.014376778 0.009430404 0.032393346 0.028420487 0.016936946 0.029770367 0.021860814 0.013598533 0.02013042 0.025646339 0.014064527 0.017476394 0.027843043 0.021602067 0.030334619 0.015058768 3-Phenylpropionate 0.248160316 0.332082276 0 0.243305163 0.213838551 0.304453037 0.395061366 0.334065194 0.762588856 0.324389888 0.426599774 4.412196903 2.600245632 3.869568138 0.372005296 2.268500476 0.299255842 1.617461943 0.351013614 2.93689792 0.44188662 1.030158864 2.190496016 1.758096171 2.066159928 1.677566327 0.807505739 2.410725651 1.759820027 1.64618049 1.199948995 1.219929517 1.28327789 0.4799229 1.291794113 0.754727348 0.828779762 1.084594783 0.620333587 0.828445239 0.720560965 0.725706366 1.756092415 0 0.139073985 0.09614812 1.158813971 0 0 0.107423259 0 0.16020129 1.643549201 0.288946755 0.234804318 1.176360354 1.566326284 1.448714399 0.387474663 0.840344077 1.013133934 0.470288946 0.54399687 0.641239475 0.331988168 0.84060611 1.542795144 0.792135436 0.492195902 2.314857656 1.259720701 0.479876981 1.361060756 1.635536068 0.756058406 0.753527174 0.655782573 0.870680197 1.831446713 2.098841286 1.422966937 0.756854814 1.204705651 1.624103505 1.233611372 0.47962029 1.13181502 0.742081849 0.144002458 0.184510854 0.195799809 0.15339267 0.487536792 0.427984382 0.670265301 0.559776027 2.005136131 0.377215922 0.276705376 0.626361724 0.127209887 0.14106286 0.586791203 0.435803821 3.6227958 0.478709707 0.778030928 0.95975089 0.412417692 0.729483799 0.803096332 1.728014119 0.249997745 0.388188365 1.053460338 0.378218493 0.537281106 1.096711548 0.959127842 0.24739166 1.798325796 1.001878635 0.808128203 0.109813218 0.090511369 0.09109872 0 0 0.122248849 0.12020721 0.224084867 0.222894877 0.172107772 0.558716096 0.817815506 0.678316025 1.532102403 0.931989577 0.553630591 0.439457128 1.82237766 0.744681569 0.387796088 0.149987633 0.197255912 0 1.658214663 0.369241307 0.205501347 2.008306593 0.821322415 0.676041956 0.653510915 0.54771136 0.608982154 0.703447965 1.063091635 0.179586602 0.390831403 0.459654365 0.975091072 1.250947913 0.578776702 0.907692631 0.878154711 1.439018871 0.854790742 1.313625849 1.599135918 0.116440649 1.184752191 0.150205707 0.830923255 0.411969782 0.266926748 0.40738713 Succinate 3.6298795 9.280097 29.67635246 4.283250971 19.48028102 1.073958796 1.677842901 15.83828376 29.90252613 10.82601924 14.61483787 1.935886822 1.877389753 2.29000391 42.06508217 1.883496957 1.522814625 1.42753956 2.920874653 1.163251799 2.337778157 1.478296387 2.259337774 34.41058698 1.765766737 22.16908596 32.47973522 1.831130038 3.07393991 15.13213152 6.429638765 3.562921651 6.796868227 46.5931728 104.1329054 1.554310871 136.2108015 30.47338075 3.018616697 75.9193141 2.18097095 2.398667974 1.001121833 1.374880461 1.536457851 0.912003195 20.78711197 0.877365734 0.881483943 0.726819906 1.424951383 1.107293577 26.55543816 2.242361287 1.739437581 2.816746775 0.694312258 0.455489989 0.4721231 28.92084531 22.0034057 0.678938948 44.6725097 39.39389583 0.88873476 8.579155869 17.45216424 3.698921201 2.062382099 2.320355175 0.648093062 1.127262763 2.693630618 9.864141112 56.79220234 11.06910304 16.01397591 1.034044319 1.251200381 1.118231593 7.129748927 0.855477733 1.102525503 1.540381508 0.748174446 1.93414218 24.7986744 1.479779513 1.04118541 1.659680943 1.318517913 1.265653606 2.124422066 0.511534075 1.332378881 2.259204824 2.475515073 1.735714892 46.15784509 1.707111909 1.129446815 1.662322194 2.266354697 3.304284713 1.227065576 1.191794738 12.39390534 27.11874274 35.22133289 1.057254072 9.624452545 1.529006482 104.6519775 77.48844545 2.348393052 1.937650005 2.197175723 18.71971065 1.54487272 4.308351054 1.500348549 1.755605287 2.265656758 0.252827702 0.335420293 1.240408143 0.518104842 2.162307366 1.520717606 0.988315352 2.564484388 1.556428905 1.389108613 1.926393552 2.238878028 97.9707762 2.458973039 27.51157293 2.286926968 4.185126157 152.1263484 1.293754308 2.324866521 3.000799303 2.328421146 2.582003017 2.552138659 0.969401719 2.109635961 1.438088199 1.735668665 0.984907496 16.03593265 54.4787198 51.65302469 55.3519848 61.62559374 1.607095542 1.599447562 3.833313554 1.362453893 1.077435845 1.583431158 2.003344025 68.15924773 1.189200081 1.664130734 13.9599618 46.07330905 1.200286623 19.16060336 1.59482079 7.752183188 8.773533808 2.760341548 6.24208276 Sebacate 0.012666473 0.012332339 0 0.01690692 0.011927002 0.013178484 0.010536607 0.018603701 0.008152772 0.007262846 0.009943574 0.020866108 0.010763921 0.021945976 0.008423942 0.017623637 0.010927978 0.023900518 0.010274732 0.014715914 0.033132676 0.012724492 0.009884171 0.006031465 0.009914529 0.004506104 0.006407429 0.006318887 0.006539263 0.004745246 0.006315847 0.00739776 0.006470154 0.007121828 0.010612254 0.008811037 0.004439605 0.003943653 0.010132348 0.006207777 0.015816218 0.01410412 0.010223314 0.014733863 0.020918671 0.007377365 0.006959795 0.017221151 0.066800137 0.024980829 0.016664113 0.018568548 0.014115007 0.016002267 0.010720167 0.00803108 0 0.002802288 0.009323056 0.004165085 0.003898312 0.005892147 0 0 0.005964962 0.006914374 0.011581072 0.005930668 0.074635418 0.039258164 0.031302965 0.067859985 0.060968777 0 0.006034521 0.017603403 0.008058801 0.012020439 0.012037681 0.018672061 0.008831304 0.008706598 0.011322838 0.009498224 0.007611092 0.012676765 0.013070308 0.010548197 0.015698897 0.01637059 0.020120336 0.014732327 0.013120618 0.019178818 0.023362826 0.044146085 0.027893691 0.016889964 0.029340992 0.021083234 0.026439371 0.04685133 0.003100859 0.014342259 0.014910156 0.018659698 0.012540143 0.007044432 0.007503411 0.029057036 0.012133134 0.03734288 0.020336869 0.013086236 0.014052626 0.028893659 0.014679034 0.011087286 0.040010799 0.061138897 0.052661808 0.041490108 0.035255356 0.004704249 0.008262866 0.014949345 0.005809352 0.015966508 0.027567132 0.006031353 0.009352871 0.029747696 0.017787994 0.019088999 0.014990013 0.004839216 0.009337004 0.010355834 0.013354026 0.012018795 0.007169066 0.014967186 0.014938674 0.010484959 0.016040465 0.01217838 0.007246532 0.007902452 0.010529113 0.009766946 0.019620584 0.018351506 0.006342528 0 0 0.006009992 0.022468274 0 0.008097549 0.017321954 0.015322328 0.004991764 0.011820683 0.007210676 0.016938184 0.015939599 0.008176231 0.00808495 0 0.011950778 0.009519899 0.013650554 0.009451545 0.007495783 0.009270442 0.007874515 Azelate 0.091544866 0.120770766 0.056542736 0.203860317 0.103538404 0.084485121 0.082765664 0.1077211 0.117881346 0.113357774 0.116826128 0.165720209 0.131288064 0.116699805 0.090438967 0.161938855 0.102210294 0.129029881 0.081256646 0.099922232 0.214276976 0.16655086 0.095377362 0.041449556 0.072979074 0.050758186 0.045910399 0.061319449 0.081469304 0.08692321 0.098548382 0.084529422 0.093553285 0.056451646 0.102865883 0.099975208 0.05709859 0.042512702 0.078952522 0.05962123 0.152453607 0.119958256 0.062513477 0.104152892 0.110967108 0.094652316 0.078300556 0.125945606 0.161682887 0.119193581 0.141446196 0.132613659 0.079793204 0.122739042 0.097997401 0.087453264 0.086386778 0.024282306 0.082964637 0.05296843 0.049241943 0.054826616 0.045001494 0.03937456 0.053153964 0.028342065 0.057046076 0.068011111 0.665414011 0.349273387 0.191995174 0.355694952 0.286476553 0.05936897 0.058677254 0.06551885 0.073507387 0.069481998 0.07377915 0.097014926 0.074462922 0.077401734 0.110187563 0.087843148 0.092153497 0.09850628 0.084512737 0.135028538 0.093151671 0.078587164 0.083874147 0.080213793 0.096758369 0.101645487 0.146944942 0.154772586 0.221828869 0.148655525 0.089904209 0.125994097 0.118733507 0.12708235 0.070087638 0.108125588 0.060303838 0.07989215 0.0784876 0.047652096 0.065464031 0.137349107 0.100069578 0.192232524 0.084293869 0.06802868 0.103943662 0.103943325 0.123379482 0.074434148 0.162430065 0.601557955 0.212322086 0.12090776 0.120572898 0.034554727 0.127903064 0.172555481 0.061822259 0.095256548 0.136552441 0.076685977 0.074699813 0.071025538 0.099504079 0.087173248 0.166194746 0.053841515 0.091132376 0.062761961 0.093679434 0.105800729 0.066396086 0.093532188 0.064815954 0.130006714 0.125806923 0.124287235 0.068673363 0.076510245 0.108832568 0.09315272 0.162833443 0.148830151 0.092517982 0.039637348 0.029958229 0.060987841 0.097800567 0.066448951 0.062815531 0.113408253 0.107149425 0.063777136 0.088444401 0.091862683 0.069672242 0.073385609 0.0915896 0.065112034 0.042956193 0.13299034 0.100469356 0.069035421 0.13590574 0.092351549 0.122535607 0.095264316 Sinapate 0 0.157628599 0 0.058722142 0 0.089052423 0 0.110797591 0.230563389 0.139758864 0.236122239 1.033582862 1.493421583 0 0 0.116239043 0 1.447370613 0.257913791 1.895393233 0.023272517 0.167692152 0 0.292619071 0.233838928 0.368060444 0.218840691 0.071197232 0 0.131255772 0.112738985 0.115852931 0 0.234904135 0.303640256 0 0.069456109 0 0 0 0.122820117 0.122704796 0 0 0.109982777 0.068992764 0 0.869542069 0.013865272 0 0.063824605 0 0.185584555 1.159067077 0.453835888 0.173766442 0.129978304 0 0 0 0.134885686 0 0.063645847 0 0.252980619 0.101389411 0.152562229 0.145200608 0.264105909 0.222948543 0.696513718 1.322317375 3.82332072 0.161839403 0.200288354 0.260547559 0.180162459 0.230432026 0.08105791 0.924936532 0 0.191709539 0 0.155929057 0.129375481 0.170135753 0.293033634 0.607548311 0 0 0.112586224 0 0.093338942 0.152050005 0 0 0 0 0 0 0 0.105453264 0 0 0.219769189 0.127201467 0 0 0 0 0.337434109 0 0.050539009 0 0.17780874 0 0.335942251 0 0 0 0.207611633 0.105875726 0.059806168 0 0 0 0 0 0.091477973 0.092661689 0.051867391 0.093895914 0.232956632 0.160884253 0.099621944 0.141136421 0.80455459 0.16940827 0 0 0.291635971 0.184609605 0 0 0.281587767 0 0.067870301 0 0 0.305805213 0.305182917 2.542311402 0.163826449 0.053208272 0.109740412 0.044134682 0.065428032 0.077443413 0.211242719 0.107793676 0 0 0.146262202 0 0.11179299 0 0 0 0.177470886 0 0.055723416 0.742034044 0.622634173 0.488916196 0.729399638 0.774445678 Sorbitol 6-phosphate 0 0.101189664 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.025159529 0 0 0 0 0 0 0.026656738 0 0 0 0 0 0 0.038946084 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 0.043950506 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.043722893 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 0.058568554 0.058465432 0.153808993 0 0 0 0 0.066140822 0 0 0 0.034736499 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 0.024586413 0 0 0 0 0 0 0 0 0.068639914 0 0 0 0 0 0 0 0 0 0.073514064 0 0 0 0 0 0 0 0 0 0 0 0 S7P 0 0.417229233 0 0 0.058980152 0 0.038197303 0 0.027266778 0 0 0 0 0 0.029779423 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.015439952 0 0 0 0 0 0 0 0.062840767 0 0.079451444 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.056348616 0 0.055055584 0.046405791 0 0 0.078396901 0 0.05590336 0.073514257 0.050410545 0 0 0 0 0.049426625 0 0 0 0.013009184 0 0 0 0 0 0.073021301 0.065583811 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.051823778 0 0.032010082 0.05640372 0.067391547 0 0 0 0 0 0 0 0 0 0.064235455 0 0 0 0 0 0 0 0 0 0.030479082 0 0 0.054979829 0 0 0 0 0.088745044 0 0 0 0 0 0.049711392 0 0.017695091 0.054130743 0 0.030306171 0 0 0.011740051 0 0 0 0 0 0 0 0 0 0 0 0 0 0.09569713 0.085642287 0 0.074721185 0 0 0.038397593 0 0 0 0 0.034608769 0 dTDP 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.008371936 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 0.007054715 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 0.007728016 0.009056124 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.006747838 0 0 0 0 0.00913752 0 dTMP 0 0.021461986 0 0 0 0 0 0 0.018866385 0 0 0 0 0 0 0 0.024825232 0 0 0 0.088002149 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.034876151 0 0 0 0 0 0 0 0 0 0 0 0 0.043702396 0 0 0 0 0 0 0 0 0 0 0 0.02178807 0 0 0 0.025635508 0.035656591 0.018998237 0 0 0 0.01257327 0 0.04920462 0 0 0 0.020973345 0.055057728 0.012034956 0 0 0 0 0 0.030619766 0 0 0 0.027818888 0 0 0 0 0.035313992 0 0 0.022148536 0 0 0 0.031039119 0 0 0.016930352 0 0 0.046067012 0 0 0.024244424 0 0.082262482 0.040148411 0.011629537 0.030088293 0.012773999 0 0 0 0.014504675 0 0.009991861 0 0 0.0150933 0 0 0 0.033714737 0 0 0.043198456 0 0 0 0.018704495 0 0.031481241 0.035094942 0.026923728 0 0 0.031061116 0 0.034635065 0 0 0 0 0 0.03170809 0 0 0 0 0 0.049806507 0.024257172 0 0 0 0.024098417 0.045564228 0.028643154 0 0 0.052196449 0 0.034332454 0 Tiglate 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 0.147472073 0.623022396 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.088656772 0.296332565 0.166583605 0.324921251 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 0.051710219 0 0 0 0 0 0.156552654 0.129456071 0.119296982 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 Tartrate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.035171396 0 0 0 0 0 0 0 0 0.041626358 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 0.147053737 0 0 0.200537436 0.452206213 0.122810893 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 0 0 0.08210779 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Taurocholate 0 0 0 0 0.054227327 0 0 0 0.043011929 0.089110737 0.1396295 0 0 0 0.22528097 0 0 0 0 0 0 0 0.20324402 0.310557938 0.278870486 0.244942053 1.316009738 0.407764012 0.074802164 0.215211559 0.285442237 0.05248203 0.45366874 0.180017338 0 0.176600625 0 0.20619623 0 0.231432876 0 0 0.091224357 0 0 0 0 0 0 0 0 0 0.087911887 0 0 0.422674918 0.168444097 0.079004443 0.301987264 0.099664869 0.053307803 0.057361153 7.869804505 1.037666018 0.204951814 0.088231354 0.622985862 0.190552852 0 0 0 0 0 0 0.261449249 0 0.117168232 0 0 0 0.394796788 0 0 0 0 0.166512935 0.110581917 0 0.439343432 0.164865075 0.148788915 0.560060934 0.377020436 0.035719176 0 0 0 0 0 0 0 0 0.110890063 0 0 0 0.152393233 2.066638964 0.144448554 0 0 0 1.354519623 0 0 0 0 0.218665344 0.033267528 0 0 0 0 0 0 0 0 0.027915769 0 0 0 0 0 0 0 0.043954681 0.095495699 0.119026762 0 0 0.041325799 0 0 0 0 0 0.020979768 0 0 0 0 0 0.135517326 0.276557126 0.352219384 1.286357912 0.278054083 0.208246436 0.077700892 0.087846535 0.055682183 0.072268352 0.154854278 0.130464128 0.448013186 0.170246459 0.042145406 0.11696462 0.046860874 0.080449885 0.132001958 0 0.078535884 0.054849046 0.032223004 0.087102741 Trehalose 6-phosphate 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 0.016828504 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.057894949 0 0 0 0 0 0 0 0.035839385 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 0.114575115 0 0 0 0 0.024964028 0.058776703 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 Terephthalate 0.017875427 0.013575729 0 0 0.010069475 0.017750029 0.010632142 0.015151024 0.018467335 0 0 0.017059448 0.018465104 0.022996319 0.012865572 0.03384256 0.030335493 0 0 0.024467651 0.050541604 0.024358177 0 0 0 0 0.019844147 0 0 0 0 0 0 0.013677275 0 0 0.013355123 0 0.016044523 0.006970241 0.026628952 0.033199053 0 0.033540333 0.02901914 0.019887129 0.020417542 0 0.029892692 0.026347263 0 0.018578525 0 0 0 0 0 0.031655646 0 0 0.023609064 0.020266102 0.013612081 0.012260892 0.020930958 0.013975695 0.010234189 0.021741613 0.027264307 0.019947427 0.028172677 0.022227075 0.033818612 0.020947656 0.013894034 0 0 0 0 0.012491775 0 0.020989318 0.020080119 0.030170866 0 0 0 0 0 0 0.017670851 0 0 0 0 0 0 0 0 0.04072572 0.019279907 0.017066264 0 0 0 0.010683726 0 0.016077655 0 0.031101252 0.032174139 0.023289724 0.017763838 0 0.025158818 0 0.039259008 0 0 0.022638172 0 0 0.020447931 0.018450219 0.030012503 0.031610717 0 0.016734173 0.031913333 0.020985468 0.013601425 0 0.028909339 0.017582086 0 0.018170892 0 0 0 0 0.025805039 0.022711138 0 0.038803955 0.038680014 0.026054309 0.020969939 0 0 0 0.031878538 0.019825535 0.021184259 0 0.01170244 0.02011478 0.020371846 0 0 0.023645836 0 0 0 0.017801409 0.013792382 0 0 0 0 0.046450013 0.019244377 0.020822631 0 0 0.039811689 0.032891231 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID mass number Formula N-Acetylphenylalanine C03519 207.089544 C11H13NO3 UDP-glucose C00029 566.055029 C15H24N2O17P2 UDP-glucuronate C00167 580.034294 C15H22N2O18P2 UDP-N-acetylglucosamine C00043 607.081578 C17H27N3O17P2 UDP C00015 404.002204 C9H14N2O12P2 UMP C00105 324.035871 C9H13N2O9P 3-Ureidopropionate C02642 132.053493 C4H8N2O3 Undecanoate C17715 186.16198 C11H22O2 Urate C00366 168.028341 C5H4N4O3 Xanthurenate C02470 205.037509 C10H7NO4 Adipate C06104 146.05791 C6H10O4 ADP-ribose C00301 559.071681 C15H23N5O14P2 trans-Aconitate C02341 174.01644 C6H6O6 N-Acetylglucosamine 1-phosphate C04501 301.056272 C8H16NO9P N-Acetyl-beta-alanine C01073 131.058244 C5H9NO3 Allantoate C00499 176.054556 C4H8N4O4 N-Acetylaspartate C01042 175.048074 C6H9NO5 N-Acetylglucosamine 6-phosphate C00357 301.056272 C8H16NO9P N-Acetylleucine C02710 173.105194 C8H15NO3 Acetyl CoA C00024 809.125784 C23H38N7O17P3S 3-Acetylacrylate C07091 114.031695 C5H6O3 Benzylsuccinate C09816 208.07356 C11H12O4 Butyrate C00246 88.05243 C4H8O2 CMP C00055 323.051855 C9H14N3O8P trans-Cinnamate C00423 148.05243 C9H8O2 Cysteate C00506 169.004496 C3H7NO5S Hexanoate C01585 116.08373 C6H12O2 Citraconate C02226 130.02661 C5H6O4 Octanoate C06423 144.11503 C8H16O2 Cholate C00695 408.287575 C24H40O5 AMP C00020 347.063088 C10H14N5O7P Crotonate C01771 86.03678 C4H6O2 Cysteine S-sulfate C05824 200.976568 C3H7NO5S2 2-Deoxyribose 1-phosphate C00672 214.024243 C5H11O7P DHAP C00111 169.998028 C3H7O6P Dihydroorotate C00337 158.032758 C5H6N2O4 2,5-Dihydroxybenzoate C00628 154.02661 C7H6O4 Dodecanedioate C02678 230.15181 C12H22O4 Decanoate C01571 172.14633 C10H20O2 Digalacturonate C02273 370.074745 C12H18O13 P1, P4-Di(adenosine-5') tetraphosphate C01260 836.048277 C20H28N10O19P4 DCA C04483 392.29266 C24H40O4 Ethanolamine phosphate C00346 141.019097 C2H8NO4P F1,6P C00354 339.996056 C6H14O12P2 2-Furoate C01546 112.016045 C5H4O3 N-Formylaspartate C01044 161.032424 C5H7NO5 Glycolate C00160 76.016045 C2H4O3 Glucosamine 6-phosphate C00352 259.045707 C6H14NO8P Glycerate C00258 106.02661 C3H6O4 Glycerophosphate C00093 172.013678 C3H9O6P N-Acetylneuraminate C00270 309.105984 C11H19NO9 Glutarate C00489 132.04226 C5H8O4 Glycocholate C01921 465.309039 C26H43NO6 p-Hydroxyphenylacetate C00642 152.047345 C8H8O3 o-Hydroxybenzoate C00805 138.031695 C7H6O3 3-Hydroxybutyrate C01089 104.047345 C4H8O3 Heptanoate C17714 130.09938 C7H14O2 2-Hydroxyoctanoate - 160.109945 C8H16O3 2-Hydroxypentanoate - 118.062995 C5H10O3 6-Hydroxyhexanoate C06103 132.078645 C6H12O3 Hippurate C01586 179.058244 C9H9NO3 cis-Aconitate C00417 174.01644 C6H6O6 3-(4-Hydroxyphenyl)propionate C01744 166.062995 C9H10O3 2-Hydroxy-4-methylpentanoate C03264 132.078645 C6H12O3 IMP C00130 348.047104 C10H13N4O8P Itaconate C00490 130.02661 C5H6O4 Isobutyryl CoA C00630 837.157084 C25H42N7O17P3S Isethionate C05123 125.998682 C2H6O4S 3-Indoxyl sulfate - 213.009581 C8H7NO4S 2-Oxoadipate C00322 160.037175 C6H8O5 Lactate C00186 90.031695 C3H6O3 Malate C00711 134.021525 C4H6O5 N-Acetylglutamate C00624 189.063724 C7H11NO5 2-Oxoisopentanoate C00141 116.047345 C5H8O3 4-Methyl-2-oxopentanoate C00233 130.062995 C6H10O3 Malonate C00383 104.01096 C3H4O4 Methanesulfonate C11145 95.988117 CH4O3S Nicotinate C00253 123.032029 C6H5NO2 2-Oxoglutarate C00026 146.021525 C5H6O5 Propionate C00163 74.03678 C3H6O2 Pyruvate C00022 88.016045 C3H4O3 Pantothenate C00864 219.110674 C9H17NO5 Phenaceturate C05598 193.073894 C10H11NO3 2-Aminoethylphosphonate C03557 125.024182 C2H8NO3P O-Phosphoserine C01005 185.008927 C3H8NO6P Pimelate C02656 160.07356 C7H12O4 Prostaglandin F2alpha C00639 354.240625 C20H34O5 Pelargonate C01601 158.13068 C9H18O2 4-Pyridoxate C00847 183.053159 C8H9NO4 Phthalate C01606 166.02661 C8H6O4 3-Phenylpropionate C05629 150.06808 C9H10O2 Succinate C00042 118.02661 C4H6O4 Sebacate C08277 202.12051 C10H18O4 Azelate C08261 188.10486 C9H16O4 Sinapate C00482 224.068475 C11H12O5 Sorbitol 6-phosphate C01096 262.045373 C6H15O9P S7P C05382 290.040288 C7H15O10P dTDP C00363 402.022939 C10H16N2O11P2 dTMP C00364 322.056606 C10H15N2O8P Tiglate C08279 100.05243 C5H8O2 Tartrate C00898 150.01644 C4H6O6 Taurocholate C05122 515.291676 C26H45NO7S Trehalose 6-phosphate C00689 422.082548 C12H23O14P Terephthalate C06337 166.02661 C8H6O4 METABOLITES_END #END