| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:33 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202475 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O2 |
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| Molecular Mass | 232.1212 |
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| SMILES | O=C(O)c1ccc(N2CC3CNCC3C2)cc1 |
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| InChI Key | RLQBVKGDKIFFEU-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 | pyrrolidines |
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| Subclass | phenylpyrrolidines |
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| Direct Parent | phenylpyrrolidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaminobenzoic acids and derivativesaniline and substituted anilinesazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsdialkylaminesdialkylarylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrroles |
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| Substituents | monocyclic benzene moietycarboxylic acid1-phenylpyrrolidineamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundbenzoic aciddialkylarylamineaminobenzoic acid or derivativestertiary aminesecondary aliphatic amineazacycleaniline or substituted anilinesbenzoic acid or derivativessecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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