| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:58 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162345 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20N4O8 |
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| Molecular Mass | 444.1281 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(Nc2ccc(C(=O)NCC(=O)O)cn2)cc1)C(=O)O |
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| InChI Key | QCHAQSXJVSUMDD-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsglutamic acid and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativeshydroxypyridinesimidolactamsnicotinamidesorganic oxidesorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativessecondary aminessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpolyhalopyridinenicotinamidebenzoyltricarboxylic acid or derivativesbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundazacyclehippuric acid or derivativesheteroaromatic compoundhydroxypyridinebenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupn-acylglycinesecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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