| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:11 UTC |
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| Update Date | 2025-03-21 17:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017966 |
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| Frequency | 232.4 |
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| Structure | |
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| Chemical Formula | C9H11NO4 |
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| Molecular Mass | 197.0688 |
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| SMILES | COC(=O)c1c(CO)cnc(C)c1O |
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| InChI Key | RNAVDJZFVOCIQZ-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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acids |
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| Substituents | aromatic alcoholaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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