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CHEBI:112291 - 2-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoic acid

ChEBI IDCHEBI:112291
ChEBI Name2-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoic acid
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FormulaC20H17NO5S2
Net Charge0
Average Mass415.492
Monoisotopic Mass415.05481
SMILESCOc1cc(C=C2SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O)ccc1O
InChIInChI=1S/C20H17NO5S2/c1-26-16-10-13(7-8-15(16)22)11-17-18(23)21(20(27)28-17)14(19(24)25)9-12-5-3-2-4-6-12/h2-8,10-11,14,22H,9H2,1H3,(H,24,25)
InChIKeySXGGEIQEHFCTTO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoic acid (CHEBI:112291) is a phenylalanine derivative (CHEBI:25985)
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LSM-23703LINCS