| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:08 UTC |
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| Update Date | 2025-03-25 00:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18O10S |
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| Molecular Mass | 438.0621 |
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| SMILES | O=C1CCc2c1cc(S(=O)O)c1cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc21 |
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| InChI Key | GYVXHONRORSWNL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesindanonesmonocarboxylic acids and derivativesmonosaccharidesnaphthalenesorganic oxidesorganosulfur compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholssulfinic acids |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidaryl alkyl ketonesulfinic acid derivativeo-glucuronidemonosaccharideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidsulfinic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesindanonehydroxy acidoxacyclemonocarboxylic acid or derivativesnaphthalenepyranindanesecondary alcoholhydrocarbon derivativebenzenoidaryl ketone |
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