| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:40 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 | DMID02205057 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O8S |
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| Molecular Mass | 382.0722 |
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| SMILES | O=S(=O)(O)Oc1cccc(CC2COC(c3ccc(O)c(O)c3)OC2)c1 |
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| InChI Key | XQHCJCGWLIKLAS-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 heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidphenylsulfateoxacycleorganic oxideorganic oxygen compoundacetalsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estermeta-dioxaneorganoheterocyclic compoundorganooxygen compound |
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