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CHEBI:222629 - Galbinic acid

ChEBI IDCHEBI:222629
ChEBI NameGalbinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O11
Net Charge0
Average Mass430.321
Monoisotopic Mass430.05361
SMILESCC(=O)OCc1c(O)c2c(c3c1OC(=O)c1c(C)cc(O)c(C=O)c1O3)[C@@H](O)OC2=O
InChIInChI=1S/C20H14O11/c1-6-3-10(23)8(4-21)15-11(6)18(25)30-16-9(5-28-7(2)22)14(24)12-13(17(16)29-15)20(27)31-19(12)26/h3-4,20,23-24,27H,5H2,1-2H3/t20-/m0/s1
InChIKeyIHMXDYQQUZKOON-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Usnea undulata (ncbitaxon:2563878) - DOI (10.1071/ch9751793)
ChEBI Ontology
Outgoing Relation(s)
Galbinic acid (CHEBI:222629) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(4-ormyl-5,13,17-trihydroxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaen-12-yl)methyl acetate
Manual XrefsDatabases
78435040ChemSpider