| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:55 UTC |
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| Update Date | 2025-03-21 18:02:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040699 |
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| Frequency | 84.7 |
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| Structure | |
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| Chemical Formula | C11H14O6S |
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| Molecular Mass | 274.0511 |
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| SMILES | O=S(=O)(O)Oc1cc(CC2CCCO2)ccc1O |
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| InChI Key | CWCWOKWLBNANSU-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 benzenoidsdialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretheraromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoiddialkyl etherphenylsulfateoxacycleorganic oxideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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