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CHEBI:218791 - Verrucigeric acid

ChEBI IDCHEBI:218791
ChEBI NameVerrucigeric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O10
Net Charge0
Average Mass430.365
Monoisotopic Mass430.09000
SMILESCOc1cc(C)c2c3c1COC(C)(O)OC1OC(=O)c4c(O)c(C)c(c(c41)O3)OC2=O
InChIInChI=1S/C21H18O10/c1-7-5-10(26-4)9-6-27-21(3,25)31-20-13-12(19(24)30-20)14(22)8(2)15-17(13)28-16(9)11(7)18(23)29-15/h5,20,22,25H,6H2,1-4H3
InChIKeyPYXLIRYVDGURGG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xanthoparmelia verrucigera (ncbitaxon:286384) - DOI (10.1071/ch00121)
ChEBI Ontology
Outgoing Relation(s)
Verrucigeric acid (CHEBI:218791) is a aromatic ether (CHEBI:35618)
IUPAC Name 
3,9-dihydroxy-13-methoxy-2,9,15-trimethyl-6,8,10,18,20-pentaoxapentacyclo[14.3.2.14,7.012,17.019,22]docosa-1(19),2,4(22),12,14,16-hexaene-5,21-dione
Manual XrefsDatabases
78435536ChemSpider