| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:31 UTC |
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| Update Date | 2025-03-25 00:46:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154731 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O4 |
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| Molecular Mass | 316.1423 |
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| SMILES | COc1cc2nccc(N3CCC(C(=O)O)CC3)c2cc1OC |
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| InChI Key | VHDFHTLSHGEVSQ-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 | aminoquinolines and derivatives |
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| Direct Parent | 4-aminoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersamino acidsaminopyridines and derivativesanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridines |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinedialkylarylaminepiperidineaminopyridinetertiary amine4-aminoquinolineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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