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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 21475
    chemical entity 21474
      molecular entity 21457
        polyatomic entity 21329
          molecule 20949
            cyclic compound 20496
              macrocycle 2327
                (R)-cembrene A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21475
    subatomic particle 21460
      composite particle 21460
        hadron 21460
          baryon 21460
            nucleon 21460
              atomic nucleus 21460
                atom 21460
                  main group element atom 21361
                    main group molecular entity 21361
                      s-block molecular entity 20881
                        hydrogen molecular entity 20805
                          hydrides 20042
                            organic hydride 19538
                              organic fundamental parent 19538
                                hydrocarbon 19372
                                  olefin 7444
                                    cyclic olefin 104
                                      monocyclic olefin 101
                                        cycloalkatriene 5
                                          (R)-cembrene A 0
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