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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
ChEBI ID CHEBI:186113
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H22O14
Net Charge 0
Average Mass 570.459
Monoisotopic Mass 570.10096
InChI InChI=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
InChIKey MOSLFGGORYZYFA-ZRLHDRKVSA-N
SMILES O1[C@@H](OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)C(O)[C@@H](O)C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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
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24844623 ChemSpider
LMPK12111881 LIPID MAPS
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