| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:21 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O14S |
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| Molecular Mass | 494.073 |
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| SMILES | O=C1CCC(Cc2cc(O)c(OC3C(O)C(O)C(O)C(OS(=O)(=O)O)C3C(=O)O)c(O)c2)O1 |
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| InChI Key | YDKCPUXRAYQJIC-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 benzenoidsalkyl aryl ethersalkyl sulfatescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundssulfuric acid monoesterstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeresorcinollactoneorganic oxidealkyl sulfateorganoheterocyclic compoundalcoholorganic sulfuric acid or derivativestetrahydrofurancyclohexanolcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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