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

ChEBI IDCHEBI:176372
ChEBI NameApigenin 5-(6''-malonylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O13
Net Charge0
Average Mass518.427
Monoisotopic Mass518.10604
SMILESO=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3oc(-c4ccc(O)cc4)cc(=O)c23)C(O)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyHAEMQOGVHIZSOW-CFJLBEKGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
24843426ChemSpider
LMPK12110372LIPID MAPS