6-O-Desmethyl-mycophenolic acid (CHEBI:174929)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	6-O-Desmethyl-mycophenolic acid

ChEBI ID	CHEBI:174929

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H18O6

Net Charge

Average Mass

306.314

Monoisotopic Mass

306.11034

InChI

InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)/b8-3+

InChIKey

MHSRNZSBNXFMLF-FPYGCLRLSA-N

SMILES

O1CC=2C(=C(O)C(=C(O)C2C)C/C=C(/CCC(O)=O)\C)C1=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	6-O-Desmethyl-mycophenolic acid (CHEBI:174929) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name

(E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-4-methylhex-4-enoic acid