| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:17 UTC |
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| Update Date | 2025-03-25 00:53:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199597 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19N3O6 |
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| Molecular Mass | 361.1274 |
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| SMILES | NC(=O)CCC(C(=O)O)N(CC(=O)O)C(=O)Cc1c[nH]c2ccccc12 |
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| InChI Key | QMCOFKJXNDBFHZ-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolestertiary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidglutamine or derivativesindolefatty amideorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide grouporganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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