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CHEBI:204912 - ES 242-1

ChEBI IDCHEBI:204912
ChEBI NameES 242-1
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FormulaC34H36O10
Net Charge0
Average Mass604.652
Monoisotopic Mass604.23085
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)COC(C)C5OC(C)=O)c2c1)CC(C)OC3
InChIInChI=1S/C34H36O10/c1-15-8-20-23(13-42-15)32(36)28-21(9-18(38-4)11-25(28)40-6)27(20)30-22-10-19(39-5)12-26(41-7)29(22)33(37)24-14-43-16(2)34(31(24)30)44-17(3)35/h9-12,15-16,34,36-37H,8,13-14H2,1-7H3
InChIKeyITZYZLTWHDMFBJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - PubMed (1532171)
ChEBI Ontology
Outgoing Relation(s)
ES 242-1 (CHEBI:204912) is a lignan (CHEBI:25036)
IUPAC Name 
[10-hydroxy-5-(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]isochromen-4-yl] acetate
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116587ChemSpider