| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:59 UTC |
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| Update Date | 2025-03-21 18:37:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115164 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C12H14N2O3 |
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| Molecular Mass | 234.1004 |
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| SMILES | O=C(O)CC1N=C(O)C(Cc2ccccc2)N1 |
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| InChI Key | LBWKQAJWZXCLOY-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic carboximidic acidsdialkylamineshydrocarbon derivativesimidazolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundimidazoline3-imidazolinehydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compoundamine |
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