| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:53 UTC |
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| Update Date | 2025-03-21 18:31:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088135 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C10H10O9S |
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| Molecular Mass | 306.0046 |
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| SMILES | O=C(O)C1Oc2c(O)cc(O)cc2CC1OS(=O)(=O)O |
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| InChI Key | VJATUUWGEJEMPU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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