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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:(R)-cembrene A
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Accession:CHEBI:82800 term browser browse the term
Definition:A fourteen-membered macrocyclic diterpene consisting of 1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9.
Synonyms:exact_synonym: (1E,5E,9E,12R)-1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene
 related_synonym: 1,5,9-Trimethyl-12-(1-methylethenyl)-1,5,9-cyclotetradecatriene;   Cembrene A;   Formula=C20H32;   InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8-,18-12+,19-11-/t20-/m0/s1;   InChIKey=VWSPQDDPRITBAM-KPGNMOGWSA-N;   Neocembrene;   SMILES=CC(=C)[C@@H]1CC\\C(C)=C\\CC\\C(C)=C\\CC\\C(C)=C\\C1
 alt_id: CHEBI:7501
 xref: CAS:31570-39-5;   KEGG:C09140;   KNApSAcK:C00003458;   LIPID_MAPS_instance:LMPR0104190001;   MetaCyc:CPD-16930;   PMID:10579864;   PMID:12542341;   PMID:23386483;   PMID:9287418;   Reaxys:2215256;   Wikipedia:Cembrene_A


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                (R)-cembrene A 0
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                    main group molecular entity 0
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                        hydrogen molecular entity 0
                          hydrides 0
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                                  olefin 0
                                    cyclic olefin 0
                                      monocyclic olefin 0
                                        cycloalkatriene 0
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