| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:03 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203638 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O8S2 |
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| Molecular Mass | 309.9817 |
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| SMILES | O=C(O)CCc1ccc(OS(=O)(=O)S(=O)(=O)O)cc1 |
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| InChI Key | HMXABCQVPWFRFJ-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic dithionitesorganic oxidesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundorganic dithionite |
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