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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 19810
    chemical entity 19810
      molecular entity 19808
        polyatomic entity 19721
          molecule 19545
            cyclic compound 19349
              macrocycle 2304
                (R)-cembrene A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    main group molecular entity 19696
                      s-block molecular entity 19456
                        hydrogen molecular entity 19447
                          hydrides 18703
                            organic hydride 18265
                              organic fundamental parent 18265
                                hydrocarbon 17986
                                  olefin 7191
                                    cyclic olefin 106
                                      monocyclic olefin 103
                                        cycloalkatriene 5
                                          (R)-cembrene A 0
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