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

ChEBI IDCHEBI:174929
ChEBI Name6-O-Desmethyl-mycophenolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESC/C(=C\Cc1c(O)c(C)c2c(c1O)C(=O)OC2)CCC(=O)O
InChIInChI=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+
InChIKeyMHSRNZSBNXFMLF-FPYGCLRLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-O-Desmethyl-mycophenolic acid (CHEBI:174929) is a hydroxybenzoic acid (CHEBI:24676)
6-O-Desmethyl-mycophenolic acid (CHEBI:174929) is conjugate acid of 6-O-desmethylmycophenolate (CHEBI:231832)
Incoming Relation(s)
6-O-desmethylmycophenolate (CHEBI:231832) is conjugate base of 6-O-Desmethyl-mycophenolic acid (CHEBI:174929)
IUPAC Name 
(E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-4-methylhex-4-enoic acid
Manual XrefsDatabases
22546874ChemSpider