| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:55 UTC |
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| Update Date | 2025-03-25 00:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219652 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | COc1cc2c(cc1O)C1CCC(=O)N1C2 |
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| InChI Key | CZVNXYCGXWFMHF-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 | benzazocines |
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| Direct Parent | benzazocines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesisoindolesisoindolineslactamsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonephenol ethercarbonyl groupetherlactam1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxideisoindolinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclen-alkylpyrrolidineisoindolecarboxamide grouporganic oxygen compoundanisoleisoindole or derivativesbenzazocinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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