EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186379 - Kaempferol 3-(6''-galloylgalactoside)

ChEBI IDCHEBI:186379
ChEBI NameKaempferol 3-(6''-galloylgalactoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O15
Net Charge0
Average Mass600.485
Monoisotopic Mass600.11152
SMILESO=C(OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@H]1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)25-26(22(36)19-14(31)7-13(30)8-17(19)41-25)43-28-24(38)23(37)21(35)18(42-28)9-40-27(39)11-5-15(32)20(34)16(33)6-11/h1-8,18,21,23-24,28-35,37-38H,9H2/t18-,21+,23?,24?,28+/m1/s1
InChIKeySTMNAPXMGWBZSF-PSAUEFDDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(6''-galloylgalactoside) (CHEBI:186379) is a flavonoids (CHEBI:72544)
Kaempferol 3-(6''-galloylgalactoside) (CHEBI:186379) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
LMPK12111690LIPID MAPS
24844434ChemSpider