| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:15 UTC |
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| Update Date | 2025-03-25 00:51:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185900 |
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| Frequency | 0.5 |
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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 | O=C(CCN1CCCC1)Nc1ccc(O)cc1 |
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| InChI Key | SLWOPGYHXFINKG-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsanilidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidn-arylamideorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic aminecarboxamide groupbeta amino acid or derivativesanilidesecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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