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CHEBI:175916 - 6''-Malonylcosmosiin

ChEBI IDCHEBI:175916
ChEBI Name6''-Malonylcosmosiin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O13
Net Charge0
Average Mass518.427
Monoisotopic Mass518.10604
SMILESO=C(O)CC(=O)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
InChIInChI=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)
InChIKeyJXWAQRJFONLTSI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6''-Malonylcosmosiin (CHEBI:175916) is a flavonoids (CHEBI:72544)
6''-Malonylcosmosiin (CHEBI:175916) is a glycoside (CHEBI:24400)
IUPAC Name 
3-oxo-3-[[3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
Manual XrefsDatabases
HMDB0037346HMDB
4724269ChemSpider