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CHEBI:206641 - Lobariether A

ChEBI IDCHEBI:206641
ChEBI NameLobariether A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O9
Net Charge0
Average Mass402.355
Monoisotopic Mass402.09508
SMILESCOC(=O)c1c(C)cc(OC)c2c1Oc1c(O)c(C)c(O)c3c1[C@@H](OC2)OC3=O
InChIInChI=1S/C20H18O9/c1-7-5-10(25-3)9-6-27-20-13-12(19(24)29-20)14(21)8(2)15(22)17(13)28-16(9)11(7)18(23)26-4/h5,20-22H,6H2,1-4H3/t20-/m0/s1
InChIKeyQECYITLUHSSOGN-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Lobaria orientalis (ncbitaxon:209568) - PubMed (28181807)
ChEBI Ontology
Outgoing Relation(s)
Lobariether A (CHEBI:206641) is a aromatic ether (CHEBI:35618)
IUPAC Name 
methyl (11S)-15,17-dihydroxy-7-methoxy-5,16-dimethyl-13-oxo-2,10,12-trioxatetracyclo[9.6.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene-4-carboxylate
Manual XrefsDatabases
78440671ChemSpider