| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:03 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158106 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO7S |
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| Molecular Mass | 303.0413 |
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| SMILES | O=C(O)CN=C(O)CCc1ccc(O)cc1S(=O)(=O)O |
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| InChI Key | QLQLMEPWNFFGDC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidspropargyl-type 1,3-dipolar organic compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativescarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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