| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:06 UTC |
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| Update Date | 2025-03-25 00:59:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235841 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO7 |
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| Molecular Mass | 323.1005 |
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| SMILES | COc1cc2c(O)ccnc2cc1OC1OC(CO)C(O)C1O |
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| InChI Key | SCMKHBPMIVEOGL-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 | quinolines and derivatives |
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| Subclass | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | phenol etheretherpolyhalopyridinemonosaccharidealkyl aryl ethersaccharideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridineoxacyclepyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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