| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:49 UTC |
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| Update Date | 2025-03-21 18:28:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073707 |
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| Frequency | 40.4 |
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| Structure | |
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| Chemical Formula | C11H13NO2 |
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| Molecular Mass | 191.0946 |
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| SMILES | O=C(O)c1ccc(C2CCCN2)cc1 |
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| InChI Key | AVXHPPWBIQGVBK-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrroles |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidsecondary aliphatic amineazacycle2-phenylpyrrolidinebenzoic acid or derivativessecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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