| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:26 UTC |
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| Update Date | 2025-03-25 01:01:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250392 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO9 |
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| Molecular Mass | 367.0903 |
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| SMILES | O=C(O)c1cc(=O)c2cccc(OCC3OC(O)C(O)C(O)C3O)c2[nH]1 |
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| InChI Key | MDDNGJMBIAOVSD-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 | quinoline carboxylic acids |
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| Direct Parent | quinoline carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyridine-2-carboxylic acidssecondary alcoholsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesphenol etherethercarboxylic acidpolyhalopyridinemonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetal2-halopyridineoxanealcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinedihydroquinolineoxacyclemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic acidsecondary alcoholquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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