| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:23 UTC |
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| Update Date | 2025-03-25 00:55:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211446 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O7S |
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| Molecular Mass | 302.0209 |
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| SMILES | CC(=O)Nc1c(C(=O)O)cc(S(N)(=O)=O)cc1C(=O)O |
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| InChI Key | IITJBZHEFNRBOL-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetamidesacetanilidesaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesm-phthalic acid and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidn-acetylarylaminebenzoyln-arylamideorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundmeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidacetamidebenzenesulfonyl groupvinylogous amideacylaminobenzoic acid or derivativesbenzenesulfonamideaminosulfonyl compoundacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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