Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:31:09 UTC |
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Update Date | 2025-03-21 18:41:54 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00136665 |
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Frequency | 18.3 |
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Structure | |
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Chemical Formula | C9H10O6S |
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Molecular Mass | 246.0198 |
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SMILES | O=C(O)CCc1ccc(O)cc1OS(=O)O |
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InChI Key | QISUJTBLUSGICX-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 benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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