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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:13-epi-manool
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Accession:CHEBI:76944 term browser browse the term
Definition:A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 14 and carries an S-hydroxy group at position 13.
Synonyms:exact_synonym: (3S)-3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-1-en-3-ol
 related_synonym: (13S)-labda-8(17),14-dien-13-ol;   (13S)-manool;   (5S,9S,10S,13S)-labda-8(17),14-dien-13-ol;   Formula=C20H34O;   InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19+,20+/m0/s1;   InChIKey=CECREIRZLPLYDM-RAUXBKROSA-N;   SMILES=C[C@](O)(CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C;   labda-8(17),14-dien-13(S)-ol
 xref: MetaCyc:CPD-14029;   PMID:14558770;   PMID:21290071;   PMID:22129092;   Reaxys:2054966



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Term Annotations click to browse term
  CHEBI ontology 19860
    role 19832
      biological role 19830
        biochemical role 19538
          metabolite 19525
            13-epi-manool 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    main group molecular entity 19804
                      s-block molecular entity 19637
                        hydrogen molecular entity 19618
                          hydrides 19124
                            organic hydride 18697
                              organic fundamental parent 18697
                                hydrocarbon 18440
                                  terpene 14073
                                    terpenoid 13772
                                      diterpenoid 13038
                                        labdane diterpenoid 187
                                          13-epi-manool 0
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