| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:34 UTC |
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| Update Date | 2025-03-25 00:46:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154859 |
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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 | COc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1 |
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| InChI Key | VQGVZGRTDWXQJE-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 ethersanisolesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylimidazoles |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazoleazacycleheteroaromatic compoundmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisole2-phenylimidazolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundphenylbenzimidazole |
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