| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:06 UTC |
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| Update Date | 2025-03-21 18:33:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095876 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C10H14O6 |
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| Molecular Mass | 230.079 |
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| SMILES | O=C(O)CC1CC(O)C=CC1(O)CC(=O)O |
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| InChI Key | HPPUKXWRYCPZMJ-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 | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidtertiary alcoholorganic oxideorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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