| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:03 UTC |
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| Update Date | 2025-03-21 18:38:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120091 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C19H17NO7 |
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| Molecular Mass | 371.1005 |
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| SMILES | O=C(O)C1OC(Oc2ccc3cc4ccccc4cc3n2)C(O)C(O)C1O |
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| InChI Key | VUWUMYDOTWNRAK-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 | benzoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesnaphthaleneso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidsquinolones and derivativessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativespolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineoxanealcoholquinolonepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinebenzoquinolinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridinenaphthaleneorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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