| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:59 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201275 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO3 |
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| Molecular Mass | 233.1052 |
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| SMILES | COc1ccc(C2=NC(C(=O)O)CCC2)cc1 |
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| InChI Key | NJIPNIJEWDJNDF-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesketiminesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundstetrahydropyridines |
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| Substituents | phenol etherketiminemonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundiminealkyl aryl etherpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycletetrahydropyridineorganic 1,3-dipolar compoundmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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