| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:35 UTC |
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| Update Date | 2025-03-25 00:45:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152496 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6N2O |
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| Molecular Mass | 146.048 |
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| SMILES | N=C=NC(=O)c1ccccc1 |
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| InChI Key | FKEGBQHLLVYTEQ-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 and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarbodiimidescarboxylic acids and derivativeshydrocarbon derivativesiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | iminebenzoylbenzoic acid or derivativesorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativecarbodiimideorganic nitrogen compoundorganooxygen compound |
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