| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:22 UTC |
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| Update Date | 2025-03-21 18:31:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086943 |
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| Frequency | 32.8 |
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| Structure | |
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| Chemical Formula | C17H17NO5S |
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| Molecular Mass | 347.0827 |
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| SMILES | O=C(O)C1=CC(=CC=NC(Cc2ccc(O)cc2)C(=O)O)CSC1 |
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| InChI Key | RUKNAMGUCHMBOB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | tyrosine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaldiminesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundsthiopyrans |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidimine1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativestyrosine or derivativesdialkylthioetherorganic 1,3-dipolar compoundthiopyranphenylalanine or derivativesorganic oxygen compoundthioetherdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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