| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:12 UTC |
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| Update Date | 2025-03-25 01:00:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245258 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO4 |
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| Molecular Mass | 233.0688 |
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| SMILES | CN1C(=O)CC(c2ccc3c(c2)OCO3)C1=O |
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| InChI Key | XSSKMUBMVOYNQD-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesn-alkylpyrrolidinesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolidine-2-ones |
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| Substituents | 2-pyrrolidonecarbonyl groupazacyclen-alkylpyrrolidinecarboxylic acid derivativecarboxylic acid imideoxacycleorganic oxideacetalorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativedicarboximidebenzenoidorganic nitrogen compoundpyrrolidinecarboxylic acid imide, n-substitutedpyrrolidoneorganooxygen compoundbenzodioxole |
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