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CHEBI:182223 - Antibiotic ES 242-5

ChEBI IDCHEBI:182223
ChEBI NameAntibiotic ES 242-5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34O9
Net Charge0
Average Mass562.615
Monoisotopic Mass562.22028
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)COC(C)C5O)c2c1)CC(C)OC3
InChIInChI=1S/C32H34O9/c1-14-7-18-21(12-40-14)31(34)26-19(8-16(36-3)10-23(26)38-5)25(18)28-20-9-17(37-4)11-24(39-6)27(20)32(35)22-13-41-15(2)30(33)29(22)28/h8-11,14-15,30,33-35H,7,12-13H2,1-6H3
InChIKeyWPGPKDAIJINNNL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Antibiotic ES 242-5 (CHEBI:182223) is a lignan (CHEBI:25036)
IUPAC Name 
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]isochromene-4,10-diol
Manual XrefsDatabases
8183590ChemSpider