CHEBI:175785 - (8R,8'R,9S)-9-Hydroxy-3,4-dimethoxy-3',4'-methylenoxy-9,9'-epoxylignan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 (8R,8'R,9S)-9-Hydroxy-3,4-dimethoxy-3',4'-methylenoxy-9,9'-epoxylignan
ChEBI ID CHEBI:175785
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O6
Net Charge 0
Average Mass 372.417
Monoisotopic Mass 372.15729
InChI InChI=1S/C21H24O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3
InChIKey FDXPFHFRXMBVEU-UHFFFAOYSA-N
SMILES O1C(O)C(C(C1)CC2=CC=3OCOC3C=C2)CC4=CC(OC)=C(OC)C=C4
ChEBI Ontology
Outgoing (8R,8'R,9S)-9-Hydroxy-3,4-dimethoxy-3',4'-methylenoxy-9,9'-epoxylignan (CHEBI:175785) is a lignan (CHEBI:25036)
IUPAC Name
4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol
Manual Xrefs Databases
35013477 ChemSpider
HMDB0032733 HMDB
View more database links