| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:16 UTC |
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| Update Date | 2025-03-25 00:51:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185932 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O8S |
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| Molecular Mass | 290.0096 |
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| SMILES | O=C(Cc1cccc(O)c1)C(=O)OCOS(=O)(=O)O |
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| InChI Key | UNIGLZGQEWOBRM-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic 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 sulfatesalpha-keto acids and derivativescarboxylic acid estersfatty acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | fatty acylsulfuric acid monoestercarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketoneorganic oxidealkyl sulfatealpha-keto acidorganic sulfuric acid or derivativesphenylpyruvate1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid estersulfate-esterphenolhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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