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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:valerianol
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Accession:CHEBI:143779 term browser browse the term
Definition:A member of the class of octahydronaphthalenes that is 1,2,3,4,6,7,8,8a-octahydronaphthalene which is substituted by methyl groups at the 8 and 8a positions, and by a 2-hydroxypropan-2-yl group at position 2 (the 2R,8R,8aS stereoisomer).
Synonyms:exact_synonym: 2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-ol
 related_synonym: Formula=C15H26O;   InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1;   InChIKey=MQWIFDHBNGIVPO-KYOSRNDESA-N;   SMILES=[C@H]1(CCC=C2[C@]1(C[C@@H](CC2)C(C)(C)O)C)C;   kusenol;   kusunol
 xref: AGR:IND43770236;   AGR:IND43770258;   AGR:IND44258956;   AGR:IND44614867;   CAS:20489-45-6;   FooDB:FDB013544;   HMDB:HMDB0034951;   KNApSAcK:C00016999;   MetaCyc:CPD-22153;   PMID:26963574;   PMID:28946701;   PMID:29671794;   PMID:30127518;   PMID:30912530;   PMID:5728173


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Term Annotations click to browse term
  CHEBI ontology 19801
    role 19747
      biological role 19746
        biochemical role 19251
          metabolite 19228
            eukaryotic metabolite 18850
              plant metabolite 17381
                valerianol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    main group molecular entity 19684
                      s-block molecular entity 19428
                        hydrogen molecular entity 19419
                          hydrides 18460
                            organic hydride 17771
                              organic fundamental parent 17771
                                hydrocarbon 17289
                                  terpene 9603
                                    terpenoid 9587
                                      sesquiterpenoid 2692
                                        eremophilane sesquiterpenoid 0
                                          valerianol 0
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