| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:28 UTC |
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| Update Date | 2025-03-21 18:41:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132875 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C13H18N2O2 |
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| Molecular Mass | 234.1368 |
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| SMILES | NC1CCCC(Cc2ccc(O)cc2)NC1=O |
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| InChI Key | UUUQPJGHJJOYPI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsazepanesbenzene and substituted derivativescaprolactamscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | caprolactammonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amideazepaneorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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