| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:58:54 UTC |
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| Update Date | 2025-03-24 20:33:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01486930 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C7H6N2O |
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| Molecular Mass | 134.048 |
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| SMILES | N#CNc1ccccc1O |
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| InChI Key | DVCKODWLPUTCFP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescyanide saltshydrocarbon derivativesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganic cyanide saltsecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxygen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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