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

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ChEBI Name	3,4-Dihydroxyphenylvaleric acid 4 sulfate

ChEBI ID	CHEBI:195631

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.

Stars	This entity has been manually annotated by a third party.

Submitter	Noemi Tejera

Supplier Information

Download	Molfile XML SDF

Formula

C11H14O7S

Net Charge

Average Mass

290.290

Monoisotopic Mass

290.04602

InChI

InChI=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)

InChIKey

CABZBRSEXWBGOQ-UHFFFAOYSA-N

SMILES

S(OC1=C(O)C=C(CCCCC(O)=O)C=C1)(O)(=O)=O

ChEBI Ontology
Outgoing	3,4-Dihydroxyphenylvaleric acid 4 sulfate (CHEBI:195631) is a flavonoid (CHEBI:47916)

Synonym	Source
5-[3-hydroxy-4-(sulfooxy)phenyl]pentanoate	SUBMITTER