CHEBI:229695 - verticilla-3,7,12(13)-triene

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ChEBI Name verticilla-3,7,12(13)-triene
ChEBI ID CHEBI:229695
Definition A diterpene that is produced by a diterpene synthase from Cephalotaxus sinensis.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Martin Engst
Supplier Information
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Formula C20H32
Net Charge 0
Average Mass 272.476
Monoisotopic Mass 272.25040
InChI InChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h8-9,11,18-19H,6-7,10,12-14H2,1-5H3/b15-9+,16-8-/t18-,19-/m1/s1
InChIKey QNMSLJUGAUPVTC-ZNOGWTIRSA-N
SMILES [H][C@]12CC=C(C)[C@@]([H])(CCC(C)=CCC\C(C)=C\C1)C2(C)C
Metabolite of Species Details
Cephalotaxus sinensis (NCBI:txid89484) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing verticilla-3,7,12(13)-triene (CHEBI:229695) has role plant metabolite (CHEBI:76924)
verticilla-3,7,12(13)-triene (CHEBI:229695) is a carbobicyclic compound (CHEBI:36785)
verticilla-3,7,12(13)-triene (CHEBI:229695) is a diterpene (CHEBI:35190)
verticilla-3,7,12(13)-triene (CHEBI:229695) is a polycyclic olefin (CHEBI:35714)
IUPAC Name
(1R,3E,11R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7,12-triene
Citation Waiting for Citations Type Source
37326357 PubMed citation SUBMITTER
Last Modified
28 February 2024