CHEBI:166640 - Apigenin 7-O-(6-malonyl-beta-D-glucoside)

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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-O-(6-malonyl-beta-D-glucoside)
ChEBI ID CHEBI:166640
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)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(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 JXWAQRJFONLTSI-ASDZUOGYSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)CC(O)=O
ChEBI Ontology
Outgoing Apigenin 7-O-(6-malonyl-beta-D-glucoside) (CHEBI:166640) is a flavonoids (CHEBI:72544)
Apigenin 7-O-(6-malonyl-beta-D-glucoside) (CHEBI:166640) is a glycoside (CHEBI:24400)
IUPAC Name
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
Manual Xrefs Databases
4444921 ChemSpider
C10020 KEGG COMPOUND
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Registry Number Type Source
86546-87-4 CAS Registry Number ChemIDplus