| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:33 UTC |
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| Update Date | 2025-03-25 00:54:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209427 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O4 |
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| Molecular Mass | 186.0892 |
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| SMILES | CC1=CC(=O)CCC1(O)C(O)CO |
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| InChI Key | WAWSPMCTGYUFEJ-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 | carbonyl compounds |
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| Direct Parent | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcoholstertiary alcohols |
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| Substituents | alcoholcyclohexenonetertiary alcoholorganic oxidesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary alcohol |
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