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CHEBI:3812 - Coleone A

ChEBI IDCHEBI:3812
ChEBI NameColeone A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILESC=CC[C@]1(C)c2c(C)c3c(c(O)c2OC1O)C(=O)C(C(C)C)=C(O)C3=O
InChIInChI=1S/C20H22O6/c1-6-7-20(5)13-9(4)11-12(17(24)18(13)26-19(20)25)14(21)10(8(2)3)15(22)16(11)23/h6,8,19,22,24-25H,1,7H2,2-5H3/t19?,20-/m1/s1
InChIKeyWKRCSOAPKREAOF-GFOWMXPYSA-N
ChEBI Ontology
Outgoing Relation(s)
Coleone A (CHEBI:3812) is a naphthofuran (CHEBI:39270)
Synonym  Source
Coleone AKEGG COMPOUND
Manual XrefsDatabases
C10317KEGG COMPOUND
C00002808KNApSAcK
Registry NumbersSources
CAS:1984-44-7KEGG COMPOUND