| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:24 UTC |
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| Update Date | 2025-03-21 18:02:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039467 |
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| Frequency | 94.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O3 |
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| Molecular Mass | 248.1161 |
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| SMILES | CC(O)C1N=C(O)C(Cc2ccccc2)N=C1O |
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| InChI Key | FGAJABUCBXJDBF-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic carboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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