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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:3,4-secoisopimara-4(18),7,15-triene-3-oic acid
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Accession:CHEBI:66459 term browser browse the term
Definition:A diterpenoid of the class of secoisopimarane isolated from Salvia cinnabarina and has been shown to exhibit antispasmodic, hypotensive and antibacterial activities.
Synonyms:exact_synonym: 3-[(1S,2S,6S,8aS)-6-ethenyl-1,6-dimethyl-2-(prop-1-en-2-yl)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]propanoic acid
 related_synonym: Formula=C20H30O2;   InChI=1S/C20H30O2/c1-6-19(4)11-9-17-15(13-19)7-8-16(14(2)3)20(17,5)12-10-18(21)22/h6-7,16-17H,1-2,8-13H2,3-5H3,(H,21,22)/t16-,17-,19-,20-/m0/s1;   InChIKey=XQZUWQQUDZZOHA-ZULIPRJHSA-N;   SMILES=[H][C@]12CC[C@@](C)(CC1=CC[C@@H](C(C)=C)[C@]2(C)CCC(O)=O)C=C
 xref: PMID:11301863;   PMID:17978757;   Reaxys:22892163

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            3,4-secoisopimara-4(18),7,15-triene-3-oic acid 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  terpene 0
                                    terpenoid 0
                                      diterpenoid 0
                                        3,4-secoisopimara-4(18),7,15-triene-3-oic acid 0
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