| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:08 UTC |
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| Update Date | 2025-03-25 00:53:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199259 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O3S |
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| Molecular Mass | 268.0882 |
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| SMILES | O=C(O)CN=C(O)NCCSCc1ccccc1 |
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| InChI Key | CVABZJFRJPMWGD-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 | n-carbamoyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acidsulfenyl compounddialkylthioethern-carbamoyl-alpha-amino acidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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