| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:24 UTC |
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| Update Date | 2025-03-25 01:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O4S |
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| Molecular Mass | 311.094 |
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| SMILES | NC(=O)c1ccc(NC(=O)CSCCC(N)C(=O)O)cc1 |
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| InChI Key | MKSHOMQRXUQCEE-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 | benzoic acids and derivatives |
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| Direct Parent | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidesbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidbenzoyln-arylamidealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativebenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacylaminobenzoic acid or derivativessulfenyl compounddialkylthioethercarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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