| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:59 UTC |
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| Update Date | 2025-03-25 00:46:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157959 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O3 |
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| Molecular Mass | 192.0535 |
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| SMILES | O=C(O)Cc1nn(O)c2ccccc12 |
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| InChI Key | YTQMUCHRAPMJQJ-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 | benzopyrazoles |
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| Subclass | indazoles |
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| Direct Parent | indazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazoles |
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| Substituents | carbonyl groupcarboxylic acidazacycleindazoleheteroaromatic compoundcarboxylic acid derivativepyrazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzopyrazoleorganooxygen compoundazole |
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