| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:51 UTC |
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| Update Date | 2025-03-21 18:41:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136002 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C11H10N2O2 |
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| Molecular Mass | 202.0742 |
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| SMILES | O=C(O)c1ccccc1Cn1ccnc1 |
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| InChI Key | RXCZMOPOWGKAPK-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundbenzoylcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundbenzoic acidorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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