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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:valerenic acid
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Accession:CHEBI:9921 term browser browse the term
Definition:A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant.
Synonyms:exact_synonym: (2E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
 related_synonym: (2E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylacrylic acid;   Formula=C15H22O2;   InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1;   InChIKey=FEBNTWHYQKGEIQ-SUKRRCERSA-N;   SMILES=[H][C@]12CCC(C)=C1[C@@H](CC[C@H]2C)\\C=C(/C)C(O)=O
 xref: CAS:3569-10-6;   KEGG:C09743;   KNApSAcK:C00003197;   PMID:11817170;   PMID:17340394;   PMID:18095218;   PMID:18164718;   PMID:18602406;   PMID:18704879;   PMID:19156843;   PMID:19178294;   PMID:20042323;   PMID:20235267;   PMID:20878691;   PMID:21154200;   PMID:21584239;   PMID:21641881;   PMID:21894886;   PMID:22411722;   PMID:22776156;   PMID:22923195;   PMID:22944521;   Patent:US2012022283;   Reaxys:3138020;   Wikipedia:Valerenic_acid
 cyclic_relationship: is_conjugate_acid_of CHEBI:68626

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  CHEBI ontology 19841
    role 19792
      biological role 19792
        biochemical role 19328
          volatile oil component 5998
            valerenic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18113
                                        monocarboxylic acid 17483
                                          valerenic acid 0
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