CHEBI:219399 - ES-242-6

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name ES-242-6
ChEBI ID CHEBI:219399
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H34O8
Net Charge 0
Average Mass 546.616
Monoisotopic Mass 546.22537
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
SMILES O1C(CC2=C(C=3C=4C(C(O)=C5C3CC(C)OC5)=C(OC)C=C(C4)OC)C6=CC(OC)=CC(=C6C(=C2C1)O)OC)C
Metabolite of Species Details
Verticillium (NCBI:txid1036719) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
8432375 ChemSpider
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