RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200747
RefMet name	Falcarindiol
Systematic name	(3R,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
Synonyms	PubChem Synonyms
Exact mass	260.17763 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C17H24O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	70155 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	QWCNQXNAFCBLLV-YWALDVPYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCC/C=C\[C@@H](C#CC#C[C@@H](C=C)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty alcohols
Sub Class	Fatty alcohols
Distribution of Falcarindiol in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Falcarindiol
External Links
Pubchem CID	5281148
LIPID MAPS	LMFA05000658
ChEBI ID	69236
KEGG ID	C08449
PhytoHub DB	PHUB001862
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)