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CHEBI:752628 - isotretinoin anisatil

Default Structure
ChEBI IDCHEBI:752628
ChEBI Nameisotretinoin anisatil
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC29H36O4
Net Charge0
Average Mass448.603
Monoisotopic Mass448.26136
SMILESCOc1ccc(C(=O)COC(=O)/C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)cc1
InChIInChI=1S/C29H36O4/c1-21(12-17-26-23(3)11-8-18-29(26,4)5)9-7-10-22(2)19-28(31)33-20-27(30)24-13-15-25(32-6)16-14-24/h7,9-10,12-17,19H,8,11,18,20H2,1-6H3/b10-7+,17-12+,21-9+,22-19-
InChIKeyYDBCQZCJDPGBBE-BVYOMHTDSA-N
ChEBI Ontology
Outgoing Relation(s)
isotretinoin anisatil (CHEBI:752628) is a retinyl ester (CHEBI:16179)
Synonyms  Source
GR 116526XChEMBL
GR-116526XChEMBL
Granactive retexture cChEMBL
Hydroxyanasatil retinoateChEMBL
Isotretinoin anisatilChEMBL