| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:42 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177840 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO3 |
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| Molecular Mass | 169.0739 |
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| SMILES | N#CC1CCC(O)(C(=O)O)CC1 |
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| InChI Key | VLVYEZKCDNSXBT-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | carbonyl groupnitrilecarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcyclic alcoholcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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