| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:49 UTC |
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| Update Date | 2025-03-21 18:40:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129020 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C18H22N2O7 |
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| Molecular Mass | 378.1427 |
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| SMILES | NC(Cc1c(C2OC(CO)C(O)C(O)C2O)cnc2ccccc12)C(=O)O |
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| InChI Key | HPHKWTJSNWLLOP-UHFFFAOYSA-N |
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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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidpolyhalopyridinemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativedialkyl ethersaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolinealpha-amino acidorganopnictogen compound2-halopyridineoxaneprimary alcoholalcoholazacycleheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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