CHEBI:176372 - Apigenin 5-(6''-malonylglucoside)

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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 5-(6''-malonylglucoside)
ChEBI ID CHEBI:176372
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H22O13
Net Charge 0
Average Mass 518.427
Monoisotopic Mass 518.10604
InChI InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)14-7-13(27)20-15(35-14)5-12(26)6-16(20)36-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17?,21-,22+,23?,24-/m1/s1
InChIKey HAEMQOGVHIZSOW-CFJLBEKGSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)COC(=O)CC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in blood plasma (BTO:0000131). of strain ICR Mouse [NCIT:C37408] See: MetaboLights Study
ChEBI Ontology
Outgoing Apigenin 5-(6''-malonylglucoside) (CHEBI:176372) is a flavonoids (CHEBI:72544)
Apigenin 5-(6''-malonylglucoside) (CHEBI:176372) is a glycoside (CHEBI:24400)
IUPAC Name
3-oxo-3-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyoxan-2-yl]methoxy]propanoic acid
Manual Xrefs Databases
24843426 ChemSpider
LMPK12110372 LIPID MAPS
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