| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:59 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153434 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H19NO8 |
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| Molecular Mass | 401.1111 |
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| SMILES | COc1ccc2c(c1)ncc1ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc12 |
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| InChI Key | QITFCTODEXDEKC-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 | benzoquinolines |
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| Direct Parent | phenanthridines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsalkyl aryl ethersanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmethylpyridinesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativespolyhalopyridineo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineoxanealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrananisoleisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidphenanthridineorganic nitrogen compoundorganooxygen compound |
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