CHEBI:186815 - Apigenin 7-glucuronide-4'-rhamnoside

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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 Apigenin 7-glucuronide-4'-rhamnoside
ChEBI ID CHEBI:186815
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H28O15
Net Charge 0
Average Mass 592.506
Monoisotopic Mass 592.14282
InChI InChI=1S/C27H28O15/c1-9-18(30)19(31)22(34)26(38-9)39-11-4-2-10(3-5-11)15-8-14(29)17-13(28)6-12(7-16(17)41-15)40-27-23(35)20(32)21(33)24(42-27)25(36)37/h2-9,18-24,26-28,30-35H,1H3,(H,36,37)/t9?,18-,19?,20?,21-,22-,23?,24+,26-,27+/m0/s1
InChIKey IYSVAHHNEAGSMC-FEMXOOCDSA-N
SMILES O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=CC=C(C=C2)C=3OC4=CC(O[C@@H]5O[C@H]([C@@H](O)C(O)C5O)C(O)=O)=CC(O)=C4C(=O)C3)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 Apigenin 7-glucuronide-4'-rhamnoside (CHEBI:186815) is a flavonoids (CHEBI:72544)
Apigenin 7-glucuronide-4'-rhamnoside (CHEBI:186815) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
(2R,3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxane-2-carboxylic acid
Manual Xrefs Databases
24843416 ChemSpider
LMPK12110362 LIPID MAPS
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