| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:06 UTC |
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| Update Date | 2025-03-25 00:48:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169507 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO8S2 |
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| Molecular Mass | 427.0396 |
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| SMILES | CCCN(S(=O)(=O)c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | OBUUORMXKKLMDF-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 | aminosulfonyl compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonamidecarboxylic acidaminosulfonyl compoundbenzoylbenzoic acid or derivativesorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganooxygen compoundbenzenesulfonyl group |
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