| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:55 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155661 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16N2O5 |
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| Molecular Mass | 316.1059 |
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| SMILES | Cc1cccc(O)c1N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1 |
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| InChI Key | ZHGBCBVWSSBHGR-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaldiminesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmeta cresolsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstetrahydropyridinestoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidimine1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminem-cresolazacycletetrahydropyridineorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidsecondary amineorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compoundamine |
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