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CHEBI:2828 - Arnebinone

ChEBI IDCHEBI:2828
ChEBI NameArnebinone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H22O4
Net Charge0
Average Mass302.370
Monoisotopic Mass302.15181
SMILESC=CC1(C)CCC(C(=C)C)C2=C1C(=O)C(OC)=C(OC)C2=O
InChIInChI=1S/C18H22O4/c1-7-18(4)9-8-11(10(2)3)12-13(18)15(20)17(22-6)16(21-5)14(12)19/h7,11H,1-2,8-9H2,3-6H3
InChIKeyOXNJGMNJOVOFOW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Arnebinone (CHEBI:2828) is a monoterpenoid (CHEBI:25409)
Synonym  Source
ArnebinoneKEGG COMPOUND
Manual XrefsDatabases
C10302KEGG COMPOUND
C00002795KNApSAcK
Registry NumbersSources
CAS:87255-09-2KEGG COMPOUND