| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:06 UTC |
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| Update Date | 2025-03-25 00:50:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O2 |
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| Molecular Mass | 274.1681 |
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| SMILES | Cc1ccnc2cc(OCC(O)CNC(C)C)ccc12 |
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| InChI Key | KHVCBQHRGKCSRM-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-halopyridinesalkyl aryl ethersazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganopnictogen compoundsphenol etherspolyhalopyridinessecondary alcohols |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinealcoholsecondary aliphatic amineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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