| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:22 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163269 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17N3O7 |
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| Molecular Mass | 399.1066 |
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| SMILES | O=C(O)C1=CC(=CC=NC(Cc2c[nH]c3ccc(O)cc23)C(=O)O)C(C(=O)O)N1 |
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| InChI Key | ARODLPDGVWTCPQ-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 compoundspyrrolespyrroline 2-carboxylic acidstricarboxylic 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 amineazacyclepyrroline carboxylic acid or derivativesheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundsecondary aminepyrroline 2-carboxylic acidorganic oxygen compoundpyrrolinepyrroline carboxylic acidpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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