| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:13 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO3 |
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| Molecular Mass | 257.1052 |
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| SMILES | COc1ccc2nccc(CC3CCOC3=O)c2c1 |
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| InChI Key | QNPPAEWIBSMUPF-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 ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinestetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupetherpolyhalopyridinealkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineazacycletetrahydrofuranheteroaromatic compoundmethylpyridinegamma butyrolactoneoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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