| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:34 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202543 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12ClNO4S |
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| Molecular Mass | 325.0176 |
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| SMILES | O=C(O)c1cc(S(=O)O)c(Cl)cc1NCc1ccccc1 |
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| InChI Key | FGHBEIGIAJFHTC-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 | m-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-halobenzoic acidsamino acidsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundsphenylalkylaminessecondary alkylarylaminessulfinic acidsvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativesamino acidorganochloridesulfinic acid derivativebenzoylorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundsulfinic acidorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidm-sulfanylbenzoic acidaryl chloridechlorobenzenevinylogous amidehalobenzoic acid4-halobenzoic acidhalobenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminearyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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