| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:17 UTC |
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| Update Date | 2025-03-21 18:34:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101188 |
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| Frequency | 27.0 |
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| Structure | |
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| Chemical Formula | C12H14O7S |
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| Molecular Mass | 302.046 |
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| SMILES | CS(=O)(=O)Oc1cc(CC2CCC(=O)O2)cc(O)c1O |
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| InChI Key | QPSZWWXMLMYCRY-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 | benzene and substituted derivatives |
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| Subclass | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethanesulfonatesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acid estersoxacyclic compoundssulfonic acid esterssulfonylstetrahydrofurans |
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| Substituents | organosulfonic acid or derivativescarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativelactonesulfonic acid esterorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidorganosulfonic acid estergamma butyrolactonemethanesulfonateoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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