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

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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-(6''-galloylgalactoside)
ChEBI ID CHEBI:186379
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H24O15
Net Charge 0
Average Mass 600.485
Monoisotopic Mass 600.11152
InChI InChI=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
InChIKey STMNAPXMGWBZSF-PSAUEFDDSA-N
SMILES O1[C@@H]([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5
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-(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 Xrefs Databases
24844434 ChemSpider
LMPK12111690 LIPID MAPS
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