EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186024 - Vitexin 6''-(3-hydroxy-3-methylglutarate)

Default Structure
ChEBI IDCHEBI:186024
ChEBI NameVitexin 6''-(3-hydroxy-3-methylglutarate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O14
Net Charge0
Average Mass576.507
Monoisotopic Mass576.14791
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O[C@@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)C(O)C1O
InChIInChI=1S/C27H28O14/c1-27(38,8-18(32)33)9-19(34)39-10-17-22(35)23(36)24(37)26(41-17)21-14(30)6-13(29)20-15(31)7-16(40-25(20)21)11-2-4-12(28)5-3-11/h2-7,17,22-24,26,28-30,35-38H,8-10H2,1H3,(H,32,33)/t17-,22+,23?,24?,26-,27?/m0/s1
InChIKeyFUKCNWJCRSRWIJ-MGTFTROPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Vitexin 6''-(3-hydroxy-3-methylglutarate) (CHEBI:186024) is a C-glycosyl compound (CHEBI:20857)
Vitexin 6''-(3-hydroxy-3-methylglutarate) (CHEBI:186024) is a flavonoids (CHEBI:72544)
IUPAC Name 
5-[[(2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
Manual XrefsDatabases
24843288ChemSpider
LMPK12110234LIPID MAPS