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CHEBI:186113 - Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)

ChEBI IDCHEBI:186113
ChEBI NameKaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H22O14
Net Charge0
Average Mass570.459
Monoisotopic Mass570.10096
SMILESO=C(O[C@@H]1C(O)[C@@H](O)CO[C@H]1Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C27H22O14/c28-12-3-1-10(2-4-12)23-24(22(36)19-14(30)7-13(29)8-18(19)39-23)41-27-25(21(35)17(33)9-38-27)40-26(37)11-5-15(31)20(34)16(32)6-11/h1-8,17,21,25,27-35H,9H2/t17-,21?,25+,27-/m0/s1
InChIKeyMOSLFGGORYZYFA-ZRLHDRKVSA-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-(2''-galloyl-alpha-L-arabinopyranoside) (CHEBI:186113) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside) (CHEBI:186113) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
24844623ChemSpider
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