| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:58 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O6 |
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| Molecular Mass | 258.1103 |
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| SMILES | O=C(O)C1CCC(C2CCC(O)(C(=O)O)CC2)O1 |
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| InChI Key | YHNUOFJJLORWJL-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundstertiary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidtetrahydrofuranalpha-hydroxy acidcyclohexanolhydroxy acidcyclic alcoholcarboxylic acid derivativedialkyl etheroxacycletertiary alcoholorganic oxidealiphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compound |
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