| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:07 UTC |
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| Update Date | 2025-03-25 01:01:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251976 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O7S |
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| Molecular Mass | 352.0617 |
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| SMILES | O=S(=O)(O)Oc1ccc(CC2CCc3ccc(O)cc3O2)cc1O |
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| InChI Key | HIJNQSXKUORUJL-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 | phenylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherphenylsulfateorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyran1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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