| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:40 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200516 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16N2O5 |
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| Molecular Mass | 340.1059 |
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| SMILES | COc1ccc(Nc2c(C(=O)O)cnc3cc(O)c(OC)cc23)cc1 |
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| InChI Key | WIDLWHFCNIRXQI-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 | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersamino acidsanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethoxybenzenesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspolyhalopyridinespyridine-3-carboxylic acidssecondary aminesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesphenol ethermonocyclic benzene moietyethercarboxylic acidamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativequinoline-3-carboxylic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminemethoxybenzenemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolepyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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