| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:29 UTC |
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| Update Date | 2025-03-21 18:39:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125798 |
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| Frequency | 20.4 |
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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 | COc1c(C)ncc(CO)c1C=O |
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| InChI Key | AKUWBZIZYAAPNO-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-halopyridinesalkyl aryl ethersaromatic alcoholsaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivatives |
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| Substituents | aromatic alcoholpyridine carboxylic acid or derivativesetheraromatic heteromonocyclic compoundpolyhalopyridinealkyl aryl etherorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholpyridoxalazacycleheteroaromatic compoundhydroxypyridinealdehydemethylpyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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