CHEBI:113105 - 2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-thiazolidinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-thiazolidinone
ChEBI ID CHEBI:113105
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H19NO4S
Net Charge 0
Average Mass 333.404
Monoisotopic Mass 333.10348
InChI InChI=1S/C17H19NO4S/c1-17(2,3)14(20)9-15-18-16(21)13(23-15)8-10-5-6-12(22-4)11(19)7-10/h5-9,19H,1-4H3,(H,18,21)
InChIKey QGGLCGBRBYFWPB-UHFFFAOYSA-N
SMILES CC(C)(C)C(=O)C=C1NC(=O)C(=CC2=CC(=C(C=C2)OC)O)S1
ChEBI Ontology
Outgoing 2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-thiazolidinone (CHEBI:113105) is a methoxybenzenes (CHEBI:51683)
2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-thiazolidinone (CHEBI:113105) is a phenols (CHEBI:33853)
Manual Xref Database
LSM-24515 LINCS
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