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CHEBI:219388 - ES-242-3

ChEBI IDCHEBI:219388
ChEBI NameES-242-3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H36O11
Net Charge0
Average Mass620.651
Monoisotopic Mass620.22576
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)COC(C)C5OC(C)=O)c2c1)C(O)C(C)OC3
InChIInChI=1S/C34H36O11/c1-14-31(36)29-21(12-43-14)32(37)25-19(8-17(39-4)10-23(25)41-6)27(29)28-20-9-18(40-5)11-24(42-7)26(20)33(38)22-13-44-15(2)34(30(22)28)45-16(3)35/h8-11,14-15,31,34,36-38H,12-13H2,1-7H3
InChIKeyUIXDBHLNQHECCU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - PubMed (1387635)
ChEBI Ontology
Outgoing Relation(s)
ES-242-3 (CHEBI:219388) is a lignan (CHEBI:25036)
IUPAC Name 
[5-(4,10-dihydroxy-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
Manual XrefsDatabases
8184611ChemSpider