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CHEBI:219395 - ES-242-4

ChEBI IDCHEBI:219395
ChEBI NameES-242-4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34O10
Net Charge0
Average Mass578.614
Monoisotopic Mass578.21520
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)COC(C)C5O)c2c1)C(O)C(C)OC3
InChIInChI=1S/C32H34O10/c1-13-29(33)27-19(11-41-13)31(35)23-17(7-15(37-3)9-21(23)39-5)25(27)26-18-8-16(38-4)10-22(40-6)24(18)32(36)20-12-42-14(2)30(34)28(20)26/h7-10,13-14,29-30,33-36H,11-12H2,1-6H3
InChIKeyAVAQRWVGWWNBIN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - PubMed (1387635)
ChEBI Ontology
Outgoing Relation(s)
ES-242-4 (CHEBI:219395) 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)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
Manual XrefsDatabases
8275241ChemSpider