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CHEBI:219381 - ES-242-2

ChEBI IDCHEBI:219381
ChEBI NameES-242-2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H38O12
Net Charge0
Average Mass662.688
Monoisotopic Mass662.23633
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)COC(C)C5OC(C)=O)c2c1)C(OC(C)=O)C(C)OC3
InChIInChI=1S/C36H38O12/c1-15-35(47-17(3)37)31-23(13-45-15)33(39)27-21(9-19(41-5)11-25(27)43-7)29(31)30-22-10-20(42-6)12-26(44-8)28(22)34(40)24-14-46-16(2)36(32(24)30)48-18(4)38/h9-12,15-16,35-36,39-40H,13-14H2,1-8H3
InChIKeyPEDZYCDSAWVMRN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - PubMed (1387635)
ChEBI Ontology
Outgoing Relation(s)
ES-242-2 (CHEBI:219381) is a lignan (CHEBI:25036)
IUPAC Name 
[5-(4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate
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