| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:36 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 | DMID02182153 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18O11S |
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| Molecular Mass | 466.057 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(c2)cc(OS(=O)(=O)O)c2ccccc23)C(O)C(O)C1O |
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| InChI Key | QWESMLXBZZHOPY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenanthrenes and derivatives |
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| Subclass | phenanthrols |
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| Direct Parent | phenanthrols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsarylsulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthaleneso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundarylsulfateoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesphenanthrolhydroxy acidoxacyclemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyransecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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