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CHEBI:195631 - 3,4-Dihydroxyphenylvaleric acid 4 sulfate

ChEBI IDCHEBI:195631
ChEBI Name3,4-Dihydroxyphenylvaleric acid 4 sulfate
Stars
Definition, also known as 5-[3-hydroxy-4-(sulfooxy)phenyl]pentanoate, belongs to the class of organic compounds known as sulfated fatty acids. These are fatty acids containing linked to a sulfate group linked to its tail.
Submitterntejera
DownloadsMolfile
FormulaC11H14O7S
Net Charge0
Average Mass290.293
Monoisotopic Mass290.04602
SMILESO=C(O)CCCCc1ccc(OS(=O)(=O)O)c(O)c1
InChIInChI=1S/C11H14O7S/c12-9-7-8(3-1-2-4-11(13)14)5-6-10(9)18-19(15,16)17/h5-7,12H,1-4H2,(H,13,14)(H,15,16,17)
InChIKeyCABZBRSEXWBGOQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4-Dihydroxyphenylvaleric acid 4 sulfate (CHEBI:195631) is a flavonoid (CHEBI:47916)
Synonym  Source
5-[3-hydroxy-4-(sulfooxy)phenyl]pentanoateSUBMITTER
Manual XrefsDatabases
HMDB0240447HMDB