| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:45 UTC |
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| Update Date | 2025-03-25 00:57:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223917 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O6S |
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| Molecular Mass | 260.0103 |
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| SMILES | NC(=O)Nc1ccc(S(=O)(=O)O)cc1C(=O)O |
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| InChI Key | VGTZYFLJXOZNQZ-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | 3-sulfobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-phenylureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound3-sulfobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl groupvinylogous amidecarbonic acid derivative1-sulfo,2-unsubstituted aromatic compoundbenzoic acid or derivativesaromatic homomonocyclic compoundn-phenylureamonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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