| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:23 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206686 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO6S |
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| Molecular Mass | 259.0151 |
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| SMILES | O=C(CO)Nc1cc(C(=O)O)ccc1S(=O)O |
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| InChI Key | XIJGNKAGSKPTPH-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfur compoundsp-sulfanylbenzoic acidssecondary carboxylic acid amidessulfinic acids |
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| Substituents | carbonyl groupcarboxylic acidsulfinic acid derivativebenzoyln-arylamideorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidalcoholacylaminobenzoic acid or derivativescarboxamide groupp-sulfanylbenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundp-sulfanylbenzoic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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