| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:19 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220632 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO7 |
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| Molecular Mass | 335.1005 |
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| SMILES | O=C(O)Cc1cn(C2OC(CO)C(O)C2O)c(=O)c2ccccc12 |
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| InChI Key | AZEJZBKCNJQTPE-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholspyridinonessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl grouplactamcarboxylic acidpolyhalopyridinemonosaccharidecarboxylic acid derivativesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinoloneprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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