| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:41 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202804 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H12N2O3 |
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| Molecular Mass | 268.0848 |
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| SMILES | O=C(O)COc1cccc2nc(-c3ccccc3)[nH]c12 |
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| InChI Key | JSIZHWUKTZBUNQ-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 | benzimidazoles |
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| Subclass | phenylbenzimidazoles |
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| Direct Parent | phenylbenzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxyacetic acid derivativesphenylimidazoles |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compound2-phenylimidazolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundphenylbenzimidazole |
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