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CHEBI:219406 - ES-242-8

ChEBI IDCHEBI:219406
ChEBI NameES-242-8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34O9
Net Charge0
Average Mass562.615
Monoisotopic Mass562.22028
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc(OC)c5c(O)c6c(cc45)C(O)C(C)OC6)c2c1)CC(C)OC3
InChIInChI=1S/C32H34O9/c1-14-7-17-21(12-40-14)31(34)28-19(8-16(36-3)9-23(28)37-4)26(17)27-20-10-18-22(13-41-15(2)30(18)33)32(35)29(20)25(39-6)11-24(27)38-5/h8-11,14-15,30,33-35H,7,12-13H2,1-6H3
InChIKeyDMYFRPAJVOQFRL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - PubMed (1387635)
ChEBI Ontology
Outgoing Relation(s)
ES-242-8 (CHEBI:219406) is a lignan (CHEBI:25036)
IUPAC Name 
6-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
Manual XrefsDatabases
8658374ChemSpider