| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:19 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220613 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O7S |
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| Molecular Mass | 247.9991 |
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| SMILES | O=C(O)c1cc(O)ccc1COS(=O)(=O)O |
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| InChI Key | DUEIGKCTLXBPAQ-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalkyl sulfatesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatesulfate-esterphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidsulfuric acid esterorganooxygen compound |
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