| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:45 UTC |
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| Update Date | 2025-03-25 00:53:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202941 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO |
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| Molecular Mass | 203.131 |
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| SMILES | O=C1NCCCCC1Cc1ccccc1 |
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| InChI Key | XKKWDXJOACGONM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactams |
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| Subclass | caprolactams |
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| Direct Parent | caprolactams |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsazepanesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | caprolactammonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundazacyclecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideazepaneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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