| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:58 UTC |
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| Update Date | 2025-03-25 00:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O8S |
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| Molecular Mass | 396.0879 |
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| SMILES | O=S(=O)(O)Oc1c(O)cc(CC2CCC(Cc3cccc(O)c3)O2)cc1O |
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| InChI Key | OSMOPMLUEGXNNV-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsdialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsresorcinolssulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretheraromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoiddialkyl etherresorcinolphenylsulfateoxacycleorganic oxideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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