| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:22 UTC |
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| Update Date | 2025-03-25 00:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO3 |
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| Molecular Mass | 217.0739 |
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| SMILES | CC(C(=O)O)c1nccc2cc(O)ccc12 |
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| InChI Key | QBAKAMRBUOLUFH-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 | isoquinolines and derivatives |
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| Subclass | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine1-hydroxy-2-unsubstituted benzenoidmethylpyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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