| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:04 UTC |
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| Update Date | 2025-03-25 00:56:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217691 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O7 |
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| Molecular Mass | 274.1053 |
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| SMILES | O=C1CCC(CC2(C(=O)O)CC(O)C(O)C(O)C2)O1 |
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| InChI Key | KKPOYYIBJGMFJX-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativesdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidtetrahydrofurancyclohexanolcyclitol or derivativescyclic alcoholcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidecarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compound |
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