CHEBI:135596 - micinicate

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ChEBI Name micinicate ChEBI ID CHEBI:135596 Stars This entity has been manually annotated by a third party. 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 C23H27NO4 Net Charge 0 Average Mass 381.466 Monoisotopic Mass 381.19401 InChI InChI=1S/C23H27NO4/c1-16-12-19(14-23(2,3)13-16)27-22(26)20(17-8-5-4-6-9-17)28-21(25)18-10-7-11-24-15-18/h4-11,15-16,19-20H,12-14H2,1-3H3/t16-,19+,20?/m0/s1 InChIKey JVISQUVIQOJOOQ-VPSRXSMPSA-N SMILES C=1N=CC=CC1C(=O)OC(C(O[C@]2(CC(C[C@](C2)(C)[H])(C)C)[H])=O)(C3=CC=CC=C3)[H] ChEBI Ontology Outgoing micinicate (CHEBI:135596) has functional parent benzyl alcohol (CHEBI:17987) micinicate (CHEBI:135596) is a carboxylic ester (CHEBI:33308) Synonym Source nicotinoyl cyclandelate DrugCentral Manual Xref Database 1799 DrugCentral View more database links Registry Number Type Source 39537-99-0 CAS Registry Number DrugCentral Last Modified 23 February 2017