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CHEBI:204034 - Diemenensin B

ChEBI IDCHEBI:204034
ChEBI NameDiemenensin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILESCCC[C@H](C)C[C@H](C)/C=C(C)/C=C(/C)c1oc(=O)c(C)c(O)c1C
InChIInChI=1S/C21H32O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(22)18(7)21(23)24-20/h11-14,22H,8-10H2,1-7H3/b15-11+,16-12-/t13-,14-/m0/s1
InChIKeySAHYKMIMGJKBCR-YGFWDGJMSA-N
Species of MetaboliteComponentSourceComments
Siphonaria diemenensis (ncbitaxon:264288) - DOI (10.1016/s0040-4039(00)81805-5)
ChEBI Ontology
Outgoing Relation(s)
Diemenensin B (CHEBI:204034) is a terpene lactone (CHEBI:37668)
IUPAC Name 
4-hydroxy-3,5-dimethyl-6-[(2Z,4E,6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]pyran-2-one
Manual XrefsDatabases
10470629ChemSpider