Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:29 UTC |
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Update Date | 2025-03-21 18:35:09 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104196 |
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Frequency | 26.0 |
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Structure | |
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Chemical Formula | C16H16O9S |
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Molecular Mass | 384.0515 |
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SMILES | O=S(=O)(O)Oc1cc(CC2Oc3cc(O)cc(O)c3CC2O)ccc1O |
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InChI Key | UVGXCQYVRKKENU-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 compoundssecondary alcoholssulfuric acid monoesters |
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Substituents | monocyclic benzene moietysulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherphenylsulfateorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyran1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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