| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:13 UTC |
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| Update Date | 2025-03-25 00:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227083 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO3 |
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| Molecular Mass | 209.1052 |
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| SMILES | CC(C)c1ccc(C(O)CC(=O)O)cn1 |
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| InChI Key | GCLFPOFVASVHCN-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 | 2-halopyridinesaromatic alcoholsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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