| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:25 UTC |
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| Update Date | 2025-03-25 00:51:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186291 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO3 |
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| Molecular Mass | 263.1521 |
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| SMILES | NCC1(c2ccccc2)CCC(O)(CC(=O)O)CC1 |
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| InChI Key | KBAIIXUPXKAFCK-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidcyclohexanolcyclic alcoholcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound |
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