CHEBI:135336 - ibuprofen guaiacol ester

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ChEBI Name ibuprofen guaiacol ester ChEBI ID CHEBI:135336 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 C20H24O3 Net Charge 0 Average Mass 312.404 Monoisotopic Mass 312.17254 InChI InChI=1S/C20H24O3/c1-14(2)13-16-9-11-17(12-10-16)15(3)20(21)23-19-8-6-5-7-18(19)22-4/h5-12,14-15H,13H2,1-4H3 InChIKey FVRWRGBTEHAPDI-UHFFFAOYSA-N SMILES O(C(C(C)C1=CC=C(C=C1)CC(C)C)=O)C2=C(OC)C=CC=C2 ChEBI Ontology Outgoing ibuprofen guaiacol ester (CHEBI:135336) is a monoterpenoid (CHEBI:25409) Synonyms Sources methoxybutropate DrugCentral metoxibutropate DrugCentral Manual Xref Database 1410 DrugCentral View more database links Registry Number Type Source 66332-77-2 CAS Registry Number DrugCentral Last Modified 23 February 2017