CHEBI:142524 - β-hibitakanine

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ChEBI Name β-hibitakanine ChEBI ID CHEBI:142524 ChEBI ASCII Name beta-hibitakanine Definition A benzoate ester resulting from the formal condensation of the carboxy group of 3,5-dimethoxybenzoic acid with the hydroxy group of (−)-borneol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H26O4 Net Charge 0 Average Mass 318.408 Monoisotopic Mass 318.18311 InChI InChI=1S/C19H26O4/c1-18(2)13-6-7-19(18,3)16(10-13)23-17(20)12-8-14(21-4)11-15(9-12)22-5/h8-9,11,13,16H,6-7,10H2,1-5H3/t13-,16+,19+/m0/s1 InChIKey GXJRQCMXVCLYPV-URKNILKWSA-N SMILES C(C1=CC(=CC(=C1)OC)OC)(=O)O[C@@H]2C[C@@]3(CC[C@]2(C3(C)C)C)[H] ChEBI Ontology Outgoing β-hibitakanine (CHEBI:142524) has functional parent (−)-borneol (CHEBI:15394) β-hibitakanine (CHEBI:142524) has functional parent 3,5-dimethoxybenzoic acid (CHEBI:142601) β-hibitakanine (CHEBI:142524) is a benzoate ester (CHEBI:36054) β-hibitakanine (CHEBI:142524) is a carbobicyclic compound (CHEBI:36785) β-hibitakanine (CHEBI:142524) is a dimethoxybenzene (CHEBI:51681) β-hibitakanine (CHEBI:142524) is a monoterpenoid (CHEBI:25409) IUPAC Name (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dimethoxybenzoate Citation Type Source 29900664 PubMed citation Europe PMC Last Modified 16 November 2018