| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:33 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182041 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17NO8 |
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| Molecular Mass | 387.0954 |
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| SMILES | O=C(O)C1OC(Oc2ccc3[nH]cc4c(=O)cccc-4c3c2)C(O)C(O)C1O |
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| InChI Key | SIIRTBSCWQVXMV-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-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidssecondary alcoholsvinylogous amides |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivativespolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineoxanealcoholvinylogous amidepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyranisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidphenanthridineorganic nitrogen compoundorganooxygen compound |
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