| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:19 UTC |
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| Update Date | 2025-03-25 00:46:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154267 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO6S |
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| Molecular Mass | 247.0151 |
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| SMILES | COc1cc(NS(=O)(=O)O)ccc1C(=O)O |
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| InChI Key | SRPXZMAWFDQMDE-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 | o-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfanilidessulfuric acid monoamides |
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| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideo-methoxybenzoic acid or derivativesorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundsulfanilidemonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfuric acid monoamidehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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