EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188108 - 2''-O-Galloylisovitexin

ChEBI IDCHEBI:188108
ChEBI Name2''-O-Galloylisovitexin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O14
Net Charge0
Average Mass584.486
Monoisotopic Mass584.11661
SMILES[H][C@@]1(c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)OC(COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C28H24O14/c29-12-3-1-10(2-4-12)17-7-13(30)20-18(41-17)8-14(31)21(24(20)36)27-26(38)25(37)23(35)19(42-27)9-40-28(39)11-5-15(32)22(34)16(33)6-11/h1-8,19,23,25-27,29,31-38H,9H2/t19?,23-,25+,26?,27+/m1/s1
InChIKeyVHHCLIKWPGQXHO-ZRJKONDKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
2''-O-Galloylisovitexin (CHEBI:188108) is a C-glycosyl compound (CHEBI:20857)
2''-O-Galloylisovitexin (CHEBI:188108) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(3S,4R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
LMPK12110273LIPID MAPS
24843327ChemSpider