| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:16 UTC |
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| Update Date | 2025-03-25 00:50:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183646 |
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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 | O=C1NC(c2ccc3c(c2)CCO3)CC1O |
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| InChI Key | JBSYRDCGLVATEG-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 | alkyl aryl ethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativescoumaranshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolespyrrolidine-2-onessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl groupetherlactamalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolidonecoumaranalcoholazacycle2-phenylpyrrolidinecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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