| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:18 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247801 |
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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)Oc1cccc(CC2Oc3cc(O)ccc3CC2O)c1 |
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| InChI Key | JWTPJWXAMAIRPG-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 benzenoidsalkyl aryl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherphenylsulfateorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyranoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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