| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:28 UTC |
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| Update Date | 2025-03-25 00:50:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179565 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N3O3S |
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| Molecular Mass | 297.1147 |
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| SMILES | CS(=O)CCCCNC(=N)Nc1ccccc1C(=O)O |
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| InChI Key | YKANNLVIGJXMJB-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 | guanidinobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarboximidamidesguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssulfinyl compoundssulfoxidesvinylogous amides |
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| Substituents | carboxylic acidguanidineiminebenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxidesulfinyl compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidecarboximidamidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfoxidehydrocarbon derivativeguanidinobenzoic acid or derivativesorganic nitrogen compoundorganooxygen compound |
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