| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:21 UTC |
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| Update Date | 2025-03-21 18:04:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053586 |
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| Frequency | 60.3 |
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| Structure | |
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| Chemical Formula | C9H12O6 |
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| Molecular Mass | 216.0634 |
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| SMILES | O=C(O)CC1(O)C=CC(O)CC1C(=O)O |
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| InChI Key | PLQJGFVHVIFJOL-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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