EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184568 - Apigenin 7-methyl ether 5-(6''-malonylglucoside)

ChEBI IDCHEBI:184568
ChEBI NameApigenin 7-methyl ether 5-(6''-malonylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O13
Net Charge0
Average Mass532.454
Monoisotopic Mass532.12169
SMILESCOc1cc(O[C@@H]2OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C25H24O13/c1-34-13-6-16-21(14(27)8-15(36-16)11-2-4-12(26)5-3-11)17(7-13)37-25-24(33)23(32)22(31)18(38-25)10-35-20(30)9-19(28)29/h2-8,18,22-26,31-33H,9-10H2,1H3,(H,28,29)/t18?,22-,23+,24?,25-/m1/s1
InChIKeyWZEYEVDCZWOQJH-SBUOIAKESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Apigenin 7-methyl ether 5-(6''-malonylglucoside) (CHEBI:184568) is a flavonoids (CHEBI:72544)
Apigenin 7-methyl ether 5-(6''-malonylglucoside) (CHEBI:184568) is a glycoside (CHEBI:24400)
IUPAC Name 
3-oxo-3-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-5-yl]oxyoxan-2-yl]methoxy]propanoic acid
Manual XrefsDatabases
LMPK12111012LIPID MAPS
24843973ChemSpider