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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 24359
    chemical entity 24327
      molecular entity 24285
        polyatomic entity 24209
          molecule 23777
            cyclic compound 23037
              macrocycle 2373
                (R)-cembrene A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24359
    subatomic particle 24315
      composite particle 24315
        hadron 24315
          baryon 24315
            nucleon 24315
              atomic nucleus 24315
                atom 24315
                  main group element atom 24160
                    main group molecular entity 24160
                      s-block molecular entity 23411
                        hydrogen molecular entity 23237
                          hydrides 21878
                            organic hydride 21347
                              organic fundamental parent 21347
                                hydrocarbon 21012
                                  olefin 7214
                                    cyclic olefin 105
                                      monocyclic olefin 102
                                        cycloalkatriene 5
                                          (R)-cembrene A 0
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