| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:26 UTC |
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| Update Date | 2025-03-21 18:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032387 |
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| Frequency | 112.7 |
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| Structure | |
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| Chemical Formula | C12H11NO4S |
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| Molecular Mass | 265.0409 |
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| SMILES | CC(=O)Nc1cccc2cccc(S(=O)(=O)O)c12 |
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| InChI Key | HSZZZVHTYSQLNZ-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 | naphthalenes |
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| Subclass | naphthalene sulfonic acids and derivatives |
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| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compoundsacetamidesarylsulfonic acids and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupn-acetylarylamineorganosulfonic acidn-arylamideorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundorganopnictogen compoundacetamide1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundcarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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