| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:16 UTC |
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| Update Date | 2025-03-25 00:49:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176846 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO7S |
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| Molecular Mass | 317.0569 |
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| SMILES | O=C(O)CCN(CCO)S(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | PFGKJKVVIOBKHR-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkanolaminesaminosulfonyl compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidalkanolaminebenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativesaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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