RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153268
RefMet name	Garcinia acid
Alternative name	FA 6:2;O6
Systematic name	(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 6:2;O6	View other entries in RefMet with this sum composition
Exact mass	208.021920 (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	C6H8O8	View other entries in RefMet with this formula
Molecular descriptors
Molfile	71640 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6+/m1/s1
InChIKey	ZMJBYMUCKBYSCP-CVYQJGLWSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Hydroxy FA
Distribution of Garcinia acid 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 Garcinia acid
External Links
Pubchem CID	185620
LIPID MAPS	LMFA01050511
ChEBI ID	165420
HMDB ID	HMDB0031159
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)