| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:34 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186639 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O5 |
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| Molecular Mass | 252.0746 |
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| SMILES | Nc1ccc(C(CC(=O)O)=NC(O)C(=O)O)cc1 |
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| InChI Key | VRCOCMYRMLHCAB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkanolaminesalpha amino acidsalpha hydroxy acids and derivativesamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidiminealpha-hydroxy acidalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolamineorganic 1,3-dipolar compoundhydroxy acidaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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