| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:43 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202882 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O11S |
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| Molecular Mass | 420.0726 |
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| SMILES | O=C1CCC(Cc2cc(O)c(OC3OC(S(=O)O)C(O)C(O)C3O)c(O)c2)O1 |
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| InChI Key | NMCCLDXDEYCHHA-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 | phenols |
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| Subclass | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkanesulfinic acids and derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganosulfur compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholssulfinic acidstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundsulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmonosaccharideorganosulfur compoundcarboxylic acid derivativesulfinic acidresorcinollactonealkanesulfinic acid or derivativessaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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