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CHEBI:176208 - 3'',4''-Diacetylcosmosiin

ChEBI IDCHEBI:176208
ChEBI Name3'',4''-Diacetylcosmosiin
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SubmitterMetaboLights
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FormulaC25H24O12
Net Charge0
Average Mass516.455
Monoisotopic Mass516.12678
SMILESCC(=O)OC1C(CO)OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)C1OC(C)=O
InChIInChI=1S/C25H24O12/c1-11(27)33-23-20(10-26)37-25(22(32)24(23)34-12(2)28)35-15-7-16(30)21-17(31)9-18(36-19(21)8-15)13-3-5-14(29)6-4-13/h3-9,20,22-26,29-30,32H,10H2,1-2H3
InChIKeyCMWPZWGBXSNJLC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3'',4''-Diacetylcosmosiin (CHEBI:176208) is a flavonoids (CHEBI:72544)
3'',4''-Diacetylcosmosiin (CHEBI:176208) is a glycoside (CHEBI:24400)
IUPAC Name 
[4-acetyloxy-5-hydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-2-(hydroxymethyl)oxan-3-yl] acetate
Manual XrefsDatabases
HMDB0037344HMDB