| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:22 UTC |
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| Update Date | 2025-03-25 00:53:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199823 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O4 |
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| Molecular Mass | 188.1049 |
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| SMILES | COC1(C(=O)O)CCC(C)(O)CC1 |
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| InChI Key | VSWMLOJBDLFMMY-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 | carbonyl compoundscarboxylic acidscyclic alcohols and derivativesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidcyclohexanolcyclic alcoholcarboxylic acid derivativedialkyl ethertertiary alcoholorganic oxidemonocarboxylic acid or derivativesaliphatic homomonocyclic compoundhydrocarbon derivative |
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