| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:01 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162460 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O9S |
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| Molecular Mass | 306.0046 |
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| SMILES | O=C(O)CC(C(=O)O)c1ccc(OS(=O)(=O)O)cc1O |
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| InChI Key | FRBZBWGAOXTACK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivatives3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compounddicarboxylic acid or derivativessulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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