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CHEBI:226674 - Alterbrabetaicicene D

ChEBI IDCHEBI:226674
ChEBI NameAlterbrabetaicicene D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILESCOCC1=C2C[C@@]3(C)CC(=O)C(C(C)C)=C3C[C@H](O)[C@H](C)[C@@H]2CC1
InChIInChI=1S/C21H32O3/c1-12(2)20-17-8-18(22)13(3)15-7-6-14(11-24-5)16(15)9-21(17,4)10-19(20)23/h12-13,15,18,22H,6-11H2,1-5H3/t13-,15+,18+,21+/m1/s1
InChIKeyNGGCVNBGYQYVHU-YCNDBHRSSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (32520548)
ChEBI Ontology
Outgoing Relation(s)
Alterbrabetaicicene D (CHEBI:226674) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3S,9S,10R,11S)-9-hydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-dien-5-one