| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:56:15 UTC |
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| Update Date | 2025-03-24 20:06:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01338489 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H5NO2 |
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| Molecular Mass | 135.032 |
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| SMILES | N#COc1ccc(O)cc1 |
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| InChI Key | QBFWREVBCAJCJJ-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 | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscyanatescyanide saltshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | organic cyanate1-hydroxy-2-unsubstituted benzenoidorganic cyanide saltaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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