| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:15 UTC |
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| Update Date | 2025-03-25 00:50:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181371 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O4S |
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| Molecular Mass | 254.0361 |
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| SMILES | O=C(O)CNC(=S)Nc1ccccc1C(=O)O |
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| InChI Key | OCIVXGJNQOTTFG-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 | 1-carboxy-2-haloaromatic compoundsalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureasvinylogous amides |
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| Substituents | carbonyl groupthioureacarboxylic acidn-phenylthioureabenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidebenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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