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CHEBI:206626 - Lobarientalone A

ChEBI IDCHEBI:206626
ChEBI NameLobarientalone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O9
Net Charge0
Average Mass402.355
Monoisotopic Mass402.09508
SMILESCOc1cc(C)c2c(c1CO)Oc1c(c(C)c(O)c3c1[C@@H](OC)OC3=O)OC2=O
InChIInChI=1S/C20H18O9/c1-7-5-10(25-3)9(6-21)16-11(7)18(23)28-15-8(2)14(22)12-13(17(15)27-16)20(26-4)29-19(12)24/h5,20-22H,6H2,1-4H3/t20-/m0/s1
InChIKeyKVGZEQUGCRWFIX-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Lobaria orientalis (ncbitaxon:209568) - PubMed (28181807)
ChEBI Ontology
Outgoing Relation(s)
Lobarientalone A (CHEBI:206626) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(17S)-13-hydroxy-4-(hydroxymethyl)-5,17-dimethoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-9,15-dione
Manual XrefsDatabases
78440670ChemSpider