| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:53 UTC |
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| Update Date | 2025-03-25 00:58:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230711 |
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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 | CN1CCC(Nc2ccc(C(=O)O)cc2)CC1 |
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| InChI Key | QACQFFCFMONURJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminespiperidinessecondary alkylarylaminestrialkylamines |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidpiperidinetertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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