| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:11 UTC |
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| Update Date | 2025-03-21 18:05:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060257 |
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| Frequency | 52.0 |
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| Structure | |
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| Chemical Formula | C13H16O9S |
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| Molecular Mass | 348.0515 |
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| SMILES | O=C1CCCC(Cc2cc(O)c(O)c(OCOS(=O)(=O)O)c2)O1 |
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| InChI Key | AASVBIVTDAADJY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatescarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxidealkyl sulfateoxanedelta_valerolactoneorganoheterocyclic compoundorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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