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CHEBI:226678 - Alterbrabetaicicene E

ChEBI IDCHEBI:226678
ChEBI NameAlterbrabetaicicene E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O3
Net Charge0
Average Mass334.500
Monoisotopic Mass334.25079
SMILESCOCC1=C2[C@@H](CC1)[C@@H](C)[C@@H](O)CC1=C(C(C)C)CC[C@]1(C)[C@H]2O
InChIInChI=1S/C21H34O3/c1-12(2)15-8-9-21(4)17(15)10-18(22)13(3)16-7-6-14(11-24-5)19(16)20(21)23/h12-13,16,18,20,22-23H,6-11H2,1-5H3/t13-,16+,18+,20+,21+/m1/s1
InChIKeyYLZAEWRGYUZTPZ-IDXWEEHESA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (32520548)
ChEBI Ontology
Outgoing Relation(s)
Alterbrabetaicicene E (CHEBI:226678) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,3S,9S,10R,11S)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene-2,9-diol