| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:56 UTC |
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| Update Date | 2025-03-25 00:46:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153316 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O2S |
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| Molecular Mass | 264.0932 |
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| SMILES | COc1ccc2c(NCCS(C)=O)ccnc2c1 |
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| InChI Key | ATGSVGLBXNBRSX-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 compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylaminessulfinyl compoundssulfoxides |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl etherorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundmethylpyridinesecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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