| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:33 UTC |
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| Update Date | 2025-03-25 00:54:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204814 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO3 |
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| Molecular Mass | 205.0739 |
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| SMILES | O=c1[nH]c(C(O)CO)cc2ccccc12 |
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| InChI Key | LGKQKCBHHZWCMH-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 | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols2-halopyridinesaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary alcoholspyridinonessecondary alcohols |
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| Substituents | aromatic alcohollactampolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolone2-halopyridineprimary alcohol1,2-diolalcoholazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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