| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:40 UTC |
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| Update Date | 2025-03-21 18:35:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107091 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | COc1ccc(C2CC(O)C(=O)N2C)cc1OC |
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| InChI Key | KQDDUPNRHWQUNK-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 | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdimethoxybenzeneshydrocarbon derivativeslactamsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolespyrrolidine-2-onessecondary alcoholstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-dimethoxybenzenetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidonealcoholazacyclen-alkylpyrrolidine2-phenylpyrrolidinecarboxamide groupmethoxybenzeneorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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