| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:47 UTC |
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| Update Date | 2025-03-25 00:54:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205332 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O4S2 |
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| Molecular Mass | 314.0395 |
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| SMILES | NC(Cc1ccc(O)cc1)C(=O)N1CSSC1C(=O)O |
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| InChI Key | VTFLJDTVURHZEB-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalpha-amino acid amideazacyclecarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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