Term: | valerenic acid |
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Accession: | CHEBI:9921
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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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