| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:43:04 UTC |
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| Update Date | 2025-03-21 17:59:37 UTC |
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| HMDB ID | HMDB0012710 |
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| Metabolite Identification |
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| DeepMet ID | DMID00022196 |
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| Name | 3-Dehydroquinic acid |
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| Frequency | 179.0 |
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| Structure | |
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| Chemical Formula | C7H10O6 |
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| Molecular Mass | 190.0477 |
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| SMILES | O=C1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | WVMWZWGZRAXUBK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | alpha hydroxy acids and derivatives |
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| Direct Parent | alpha hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidscyclic ketonescyclitols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidcyclitol or derivativescyclic ketonecyclic alcoholcarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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