CHEBI:189342 - ES-242-7

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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-242-7
ChEBI ID CHEBI:189342
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H34O9
Net Charge 0
Average Mass 562.615
Monoisotopic Mass 562.22028
InChI InChI=1S/C32H34O9/c1-14-7-16-8-18-25(23(38-5)11-24(39-6)26(18)31(34)20(16)12-40-14)28-19-9-17(36-3)10-22(37-4)27(19)32(35)21-13-41-15(2)30(33)29(21)28/h8-11,14-15,30,33-35H,7,12-13H2,1-6H3
InChIKey FGZGYRPJGRFPGD-UHFFFAOYSA-N
SMILES O1C(C(O)C2=C(C=3C4=C(C(O)=C5C(CC(OC5)C)=C4)C(OC)=CC3OC)C6=C(C(O)=C2C1)C(OC)=CC(OC)=C6)C
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing ES-242-7 (CHEBI:189342) is a lignan (CHEBI:25036)
IUPAC Name
5-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-6-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
Manual Xref Database
78444111 ChemSpider
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