CHEBI:226674 - Alterbrabetaicicene D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Alterbrabetaicicene D
ChEBI ID CHEBI:226674
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H32O3
Net Charge 0
Average Mass 332.484
Monoisotopic Mass 332.23514
InChI InChI=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
InChIKey NGGCVNBGYQYVHU-YCNDBHRSSA-N
SMILES O=C1C(=C2C[C@H](O)[C@H](C)[C@H]3C(C[C@]2(C1)C)=C(CC3)COC)C(C)C
Metabolite of Species Details
Alternaria brassicicola (NCBI:txid29001) See: PubMed
ChEBI Ontology
Outgoing 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