| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:34 UTC |
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| Update Date | 2025-03-25 00:57:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223489 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O2S |
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| Molecular Mass | 252.0932 |
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| SMILES | N=CNC(CCSCc1ccccc1)C(=O)O |
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| InChI Key | MXIFECYTGDQTAZ-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 | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersfatty acylsformamidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidimineamidineorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboximidamidearomatic homomonocyclic compoundformamidinemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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