| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:11 UTC |
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| Update Date | 2025-03-25 00:54:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO3 |
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| Molecular Mass | 243.0895 |
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| SMILES | CC(C(=O)c1ccc(O)cn1)c1ccc(O)cc1 |
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| InChI Key | MLBYONDATIASRY-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 | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesaryl alkyl ketonesazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine1-hydroxy-2-unsubstituted benzenoidmethylpyridineketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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