CHEBI:139293 - G(8–O–4)SP(8–8)S

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name G(8–O–4)SP(8–8)S
ChEBI ID CHEBI:139293
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C39H44O15
Net Charge 0
Average Mass 752.759
Monoisotopic Mass 752.26802
InChI InChI=1S/C39H44O15/c1-47-28-12-21(8-11-27(28)42)35(44)33(17-40)54-38-31(50-4)15-23(16-32(38)51-5)37-26(19-53-39(46)20-6-9-24(41)10-7-20)25(18-52-37)34(43)22-13-29(48-2)36(45)30(14-22)49-3/h6-16,25-26,33-35,37,40-45H,17-19H2,1-5H3
InChIKey SJFYPGOALYKRON-UHFFFAOYSA-N
SMILES COC=1C=C(C=C(C1O)OC)C(C2COC(C3=CC(=C(C(=C3)OC)OC(C(C=4C=CC(=C(C4)OC)O)O)CO)OC)C2COC(C5=CC=C(C=C5)O)=O)O
ChEBI Ontology
Outgoing G(8–O–4)SP(8–8)S (CHEBI:139293) is a lignan (CHEBI:25036)
Last Modified
12 December 2017