| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:50 UTC |
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| Update Date | 2025-03-25 00:50:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182707 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O8S |
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| Molecular Mass | 278.0096 |
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| SMILES | O=CC(O)c1ccc(O)c(OCOS(=O)(=O)O)c1 |
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| InChI Key | MUMWBBDFDVKWLQ-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 | benzene and substituted derivatives |
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| Subclass | phenylacetaldehydes |
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| Direct Parent | phenylacetaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl sulfatesalpha-hydroxyaldehydesaromatic alcoholshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholphenol ethersulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidaldehydearomatic homomonocyclic compoundorganic oxidealpha-hydroxyaldehydeorganic oxygen compoundalkyl sulfatesecondary alcoholsulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compoundphenylacetaldehyde |
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