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CHEBI:196395 - 7,11,12-Triacetoxycoumestan

ChEBI IDCHEBI:196395
ChEBI Name7,11,12-Triacetoxycoumestan
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H14O9
Net Charge0
Average Mass410.334
Monoisotopic Mass410.06378
SMILESCC(=O)Oc1ccc2c(c1)oc(=O)c1c3cc(OC(C)=O)c(OC(C)=O)cc3oc21
InChIInChI=1S/C21H14O9/c1-9(22)26-12-4-5-13-15(6-12)30-21(25)19-14-7-17(27-10(2)23)18(28-11(3)24)8-16(14)29-20(13)19/h4-8H,1-3H3
InChIKeyXZTLRBKHOHDMTG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7,11,12-Triacetoxycoumestan (CHEBI:196395) is a coumestans (CHEBI:72577)
IUPAC Name 
(8,9-diacetyloxy-6-oxo-[1]benzouro[3,2-c]chromen-3-yl) acetate
Manual XrefsDatabases
894000ChemSpider
HMDB0030560HMDB