| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:09 UTC |
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| Update Date | 2025-03-21 18:03:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043722 |
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| Frequency | 77.6 |
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| Structure | |
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| Chemical Formula | C9H11NO3 |
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| Molecular Mass | 181.0739 |
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| SMILES | COCc1cnc(C)c(O)c1C=O |
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| InChI Key | KVMVXBQRRXBUAJ-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 | pyridine carboxaldehydes |
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| Direct Parent | pyridoxals and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl-aldehydesazacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesetheraromatic heteromonocyclic compoundpolyhalopyridinedialkyl etherorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridinepyridoxalazacycleheteroaromatic compoundhydroxypyridinealdehydemethylpyridinevinylogous acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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