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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 860
    chemical entity 860
      molecular entity 858
        polyatomic entity 824
          molecule 724
            cyclic compound 636
              macrocycle 91
                (R)-cembrene A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 860
    subatomic particle 845
      composite particle 845
        hadron 845
          baryon 845
            nucleon 845
              atomic nucleus 845
                atom 845
                  main group element atom 834
                    main group molecular entity 832
                      s-block molecular entity 720
                        hydrogen molecular entity 707
                          hydrides 340
                            organic hydride 242
                              organic fundamental parent 242
                                hydrocarbon 179
                                  olefin 1
                                    cyclic olefin 0
                                      monocyclic olefin 0
                                        cycloalkatriene 0
                                          (R)-cembrene A 0
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