| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:57 UTC |
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| Update Date | 2025-03-21 18:04:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050390 |
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| Frequency | 65.2 |
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| Structure | |
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| Chemical Formula | C20H19N3O7 |
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| Molecular Mass | 413.1223 |
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| SMILES | O=C(O)C1=CC(=CC=NC(Cc2c[nH]c3ccc(O)cc23)C(=O)O)CC(C(=O)O)N1 |
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| InChI Key | UVPIAXLDQVVGPE-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 benzenoidsaldiminesamino 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 acidindoleimine1-hydroxy-2-unsubstituted benzenoidtricarboxylic 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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