| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:39 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205034 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O8S |
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| Molecular Mass | 354.0409 |
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| SMILES | O=S(=O)(O)Oc1cc(CC2OCOc3cc(O)ccc32)ccc1O |
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| InChI Key | ITWSDOZCMWWGKE-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-hydroxy-2-unsubstituted benzenoidsacetalsbenzo-1,3-dioxaneshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidbenzo-1,3-dioxanebenzodioxanephenylsulfateoxacycleorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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