EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173166 - Isovitexin 2''-O-(6'''-feruloyl)glucoside

ChEBI IDCHEBI:173166
ChEBI NameIsovitexin 2''-O-(6'''-feruloyl)glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H38O18
Net Charge0
Average Mass770.693
Monoisotopic Mass770.20581
SMILES[H][C@@]1(c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC(COC(=O)/C=C/c2ccc(O)c(OC)c2)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C37H38O18/c1-50-22-10-15(2-8-18(22)40)3-9-26(43)51-14-25-30(45)32(47)34(49)37(54-25)55-36-33(48)29(44)24(13-38)53-35(36)28-20(42)12-23-27(31(28)46)19(41)11-21(52-23)16-4-6-17(39)7-5-16/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-3+/t24?,25?,29-,30-,32+,33+,34?,35+,36?,37+/m1/s1
InChIKeyVJSPPRJRRDZQLT-XJSHJETQSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Isovitexin 2''-O-(6'''-feruloyl)glucoside (CHEBI:173166) is a C-glycosyl compound (CHEBI:20857)
Isovitexin 2''-O-(6'''-feruloyl)glucoside (CHEBI:173166) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(3S,4S,6S)-6-[(2S,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
24843326ChemSpider
LMPK12110272LIPID MAPS