| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:26 UTC |
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| Update Date | 2025-03-25 00:49:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177239 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O7S |
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| Molecular Mass | 300.0304 |
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| SMILES | COS(=O)(=O)Oc1cc(CC2C=CC(=O)O2)ccc1O |
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| InChI Key | LDBRSWPSFDPELG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl sulfatesbutenolidescarbonyl compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid diesters |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidesulfuric acid diesteralkyl sulfatearylsulfateorganoheterocyclic compounddihydrofuranenoate esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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