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CHEBI:176039 - Edulone A

ChEBI IDCHEBI:176039
ChEBI NameEdulone A
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FormulaC22H22O8
Net Charge0
Average Mass414.410
Monoisotopic Mass414.13147
SMILESCC(=O)OCC(C)c1c(O)c(O)c2c(c1O)C(=O)c1oc(=O)c(C)c3c1C2(C)CC3
InChIInChI=1S/C22H22O8/c1-8(7-29-10(3)23)12-16(24)13-15(19(27)17(12)25)22(4)6-5-11-9(2)21(28)30-20(14(11)22)18(13)26/h8,24-25,27H,5-7H2,1-4H3
InChIKeyMLTCCXPBXYMUMQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Edulone A (CHEBI:176039) is a organic heterotricyclic compound (CHEBI:26979)
Edulone A (CHEBI:176039) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-(3,4,6-trihydroxy-1,12-dimethyl-8,11-dioxo-10-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),12-pentaen-5-yl)propyl acetate
Manual XrefsDatabases
35013804ChemSpider
HMDB0034960HMDB