| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:49 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162025 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO3 |
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| Molecular Mass | 167.0582 |
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| SMILES | O=C(O)C1N=C(O)C2C=CC1C2 |
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| InChI Key | BUCJQSGITIIILH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazepinescarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstetrahydropyridines |
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| Substituents | carbonyl groupcarboxylic acidazacycletetrahydropyridineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundazepineorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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