CHEBI:226678 - Alterbrabetaicicene E

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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 E
ChEBI ID CHEBI:226678
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34O3
Net Charge 0
Average Mass 334.500
Monoisotopic Mass 334.25079
InChI InChI=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
InChIKey YLZAEWRGYUZTPZ-IDXWEEHESA-N
SMILES O(CC1=C2[C@H](O)[C@@]3(C(=C(C(C)C)CC3)C[C@@H]([C@@H]([C@@H]2CC1)C)O)C)C
Metabolite of Species Details
Alternaria brassicicola (NCBI:txid29001) See: PubMed
ChEBI Ontology
Outgoing 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