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CHEBI:227689 - Isousone

ChEBI IDCHEBI:227689
ChEBI NameIsousone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O8
Net Charge0
Average Mass390.388
Monoisotopic Mass390.13147
SMILESCCO[C@@]12CC(=O)C(C(C)=O)=C(O)[C@]1(C)c1c(O)c(C(C)=O)c(O)c(C)c1O2
InChIInChI=1S/C20H22O8/c1-6-27-20-7-11(23)12(9(3)21)18(26)19(20,5)14-16(25)13(10(4)22)15(24)8(2)17(14)28-20/h24-26H,6-7H2,1-5H3/t19-,20+/m0/s1
InChIKeyRIIQHPRJWQNETO-VQTJNVASSA-N
Species of MetaboliteComponentSourceComments
Dolichousnea longissima (ncbitaxon:281306) - PubMed (27186821)
ChEBI Ontology
Outgoing Relation(s)
Isousone (CHEBI:227689) is a acetophenones (CHEBI:22187)
IUPAC Name 
(4aR,9bS)-2,8-diacetyl-4a-ethoxy-1,7,9-trihydroxy-6,9b-dimethyl-4H-dibenzouran-3-one
Manual XrefsDatabases
78438895ChemSpider