| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:12 UTC |
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| Update Date | 2025-03-25 00:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238268 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18N4O7 |
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| Molecular Mass | 426.1175 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(Nc2nc3cc(C(=O)O)ccc3[nH]2)cc1)C(=O)O |
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| InChI Key | ZEBQOTDPULJIKP-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzimidazolesbenzoyl derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativesimidazolesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary aminessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyltricarboxylic acid or derivativesbenzamideorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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