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CHEBI:189342 - ES-242-7

ChEBI IDCHEBI:189342
ChEBI NameES-242-7
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)CC(C)OC6)c2c1)C(O)C(C)OC3
InChIInChI=1S/C32H34O9/c1-14-7-16-8-18-25(23(38-5)11-24(39-6)26(18)31(34)20(16)12-40-14)28-19-9-17(36-3)10-22(37-4)27(19)32(35)21-13-41-15(2)30(33)29(21)28/h8-11,14-15,30,33-35H,7,12-13H2,1-6H3
InChIKeyFGZGYRPJGRFPGD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
ES-242-7 (CHEBI:189342) is a lignan (CHEBI:25036)
IUPAC Name 
5-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-6-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
Manual XrefsDatabases
78444111ChemSpider