CHEBI:186012 - Quercetin 7-(6''-tiglylglucoside)

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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 Quercetin 7-(6''-tiglylglucoside)
ChEBI ID CHEBI:186012
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H26O13
Net Charge 0
Average Mass 546.481
Monoisotopic Mass 546.13734
InChI InChI=1S/C26H26O13/c1-3-10(2)25(35)36-9-17-19(30)21(32)23(34)26(39-17)37-12-7-15(29)18-16(8-12)38-24(22(33)20(18)31)11-4-5-13(27)14(28)6-11/h3-8,17,19,21,23,26-30,32-34H,9H2,1-2H3/b10-3+/t17?,19-,21+,23?,26-/m1/s1
InChIKey AMTJHZIQBTUFSJ-WUOADIQLSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)/C(/C)=C/C
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 Quercetin 7-(6''-tiglylglucoside) (CHEBI:186012) is a flavonoids (CHEBI:72544)
Quercetin 7-(6''-tiglylglucoside) (CHEBI:186012) is a glycoside (CHEBI:24400)
IUPAC Name
[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-2-methylbut-2-enoate
Manual Xrefs Databases
24844812 ChemSpider
LMPK12112085 LIPID MAPS
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