ES-242-6 (CHEBI:219399)

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CHEBI:219399 - ES-242-6

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ChEBI ID	CHEBI:219399
ChEBI Name	ES-242-6
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H34O8
Net Charge	0
Average Mass	546.616
Monoisotopic Mass	546.22537
SMILES	COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)COC(C)C5)c2c1)CC(C)OC3
InChI	InChI=1S/C32H34O8/c1-15-7-19-23(13-39-15)31(33)29-21(9-17(35-3)11-25(29)37-5)27(19)28-20-8-16(2)40-14-24(20)32(34)30-22(28)10-18(36-4)12-26(30)38-6/h9-12,15-16,33-34H,7-8,13-14H2,1-6H3
InChIKey	LIELYYSFQZFDLQ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Verticillium (ncbitaxon:1036719)	-	PubMed (1387635)

ChEBI Ontology

Outgoing Relation(s)
	ES-242-6 (CHEBI:219399) 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]isochromen-10-ol

Manual Xrefs	Databases
8432375	ChemSpider