| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:51 UTC |
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| Update Date | 2025-03-25 00:58:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230659 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O4S |
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| Molecular Mass | 268.0518 |
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| SMILES | CN(CC(=O)O)C(S)=Nc1ccc(C(=O)O)cc1 |
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| InChI Key | DPBNIAFEOTZCBB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | n-phenylthioureas |
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| Direct Parent | n-phenylthioureas |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidn-phenylthioureabenzoylbenzoic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganooxygen compound |
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