| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:40 UTC |
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| Update Date | 2025-03-21 18:29:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078192 |
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| Frequency | 37.5 |
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| Structure | |
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| Chemical Formula | C7H7NO6S |
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| Molecular Mass | 232.9994 |
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| SMILES | Nc1cccc(C(=O)OS(=O)(=O)O)c1O |
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| InChI Key | DNZACZXJZUJSDS-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 | salicylic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsamino acids and derivativesbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminessulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoesteramino acid or derivativesbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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