| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:01 UTC |
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| Update Date | 2025-03-25 00:50:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180848 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H21N2O5+ |
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| Molecular Mass | 393.1445 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(C[n+]2cccc3ccccc32)cc1)C(=O)O |
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| InChI Key | ZOSVELVRHXDQMA-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | 1-benzylquinolines |
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| Direct Parent | 1-benzylquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamic acid and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativeshydroxypyridinesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidpolyhalopyridinebenzoylalpha-amino acid or derivativescarboxylic acid derivativebenzamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundhydroxypyridinebenzoic acid or derivativesglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound1-benzylquinolineorganooxygen compound |
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