| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:36 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177605 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O4 |
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| Molecular Mass | 264.111 |
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| SMILES | CNC(Cc1c[nH]c2cc(O)c(OC)cc12)C(=O)O |
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| InChI Key | ULYLIBQXJCVYAB-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acidindole1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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