| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:39 UTC |
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| Update Date | 2025-03-25 00:45:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150330 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O5 |
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| Molecular Mass | 202.0841 |
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| SMILES | O=C(O)CC(=O)C1(O)CCC(O)CC1 |
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| InChI Key | ZOPWEBFPJNFCDN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | beta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidcyclohexanolcyclic alcoholcarboxylic acid derivativebeta-keto acidketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesketo acidaliphatic homomonocyclic compoundhydrocarbon derivative |
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