| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163411 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8N2O4 |
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| Molecular Mass | 232.0484 |
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| SMILES | O=C(O)C(=O)CC(=O)c1ccc2nc[nH]c2c1 |
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| InChI Key | UOHOULRHZCNSDN-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 | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesazacyclic compoundsbenzenoidsbenzimidazolescarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundgamma-keto acidbutyrophenonemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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