| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:53 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159954 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O7S |
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| Molecular Mass | 304.0617 |
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| SMILES | O=S(=O)(O)Oc1cc(CC2CCCC(O)O2)ccc1O |
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| InChI Key | VSTLSMFOACGTIT-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-hydroxy-2-unsubstituted benzenoidshemiacetalshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsoxanesphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidphenylsulfateoxacycleorganic oxideorganic oxygen compoundsulfate-esterphenolhemiacetalhydrocarbon derivativebenzenoidphenoxy compoundoxanesulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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