| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:01:13 UTC |
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| Update Date | 2025-03-21 18:06:46 UTC |
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| HMDB ID | HMDB0127747 |
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| Metabolite Identification |
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| DeepMet ID | DMID00065057 |
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| Name | 5-(3,4-dihydroxyphenyl)-4-(sulfooxy)pentanoic acid |
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| Frequency | 47.1 |
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| Structure | |
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| Chemical Formula | C11H14O8S |
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| Molecular Mass | 306.0409 |
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| SMILES | O=C(O)CCC(Cc1ccc(O)c(O)c1)OS(=O)(=O)O |
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| InChI Key | NBKHZVHBUVNGQF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | sulfated fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidealkyl sulfatemedium-chain fatty acidhydroxy fatty acidorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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