| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:56 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162269 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO4 |
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| Molecular Mass | 233.0688 |
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| SMILES | O=C(O)CC(O)c1nccc2cc(O)ccc12 |
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| InChI Key | PXIBFXWQEKYECY-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-halopyridinesaromatic alcoholsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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