| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:12 UTC |
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| Update Date | 2025-03-25 00:52:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194805 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O2S |
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| Molecular Mass | 266.1089 |
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| SMILES | CCN(CC)CC(=S)Nc1ccccc1C(=O)O |
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| InChI Key | QGASOHDWMYQZON-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 | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthioamidesthiocarbonyl compoundsthiocarboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylthiocarbonyl grouporganosulfur compoundcarboxylic acid derivativeorganic oxidethioamideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidtertiary aminevinylogous amidethiocarboxylic acid amidetertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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