| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:54 UTC |
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| Update Date | 2025-03-25 00:57:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226386 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H21N3O6 |
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| Molecular Mass | 411.143 |
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| SMILES | CC(Cc1c[nH]c2ccccc12)(N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1)C(=O)O |
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| InChI Key | UOXAYCRYBFSRAG-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 | aldiminesamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolestetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidindoleiminetricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativestetrahydropyridineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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