| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:09 UTC |
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| Update Date | 2025-03-21 18:05:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060186 |
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| Frequency | 52.1 |
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| Structure | |
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| Chemical Formula | C8H8O9S |
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| Molecular Mass | 279.9889 |
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| SMILES | O=C(O)c1cc(O)c(O)c(OCOS(=O)(=O)O)c1 |
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| InChI Key | NVKXSZPQHBBSRP-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenol ethersphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidealkyl sulfatebenzoic acidorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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