| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:32 UTC |
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| Update Date | 2025-03-21 18:03:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044624 |
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| Frequency | 75.7 |
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| Structure | |
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| Chemical Formula | C11H14O5S |
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| Molecular Mass | 258.0562 |
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| SMILES | O=S(=O)(O)Oc1cccc(CC2CCCO2)c1 |
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| InChI Key | PYTMVYLLIAWXSB-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 | dialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretheraromatic heteromonocyclic compoundtetrahydrofurandialkyl etherphenylsulfateoxacycleorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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