input word = C00000652

Metabolite InformationStructural formula
Name (+)-Secoisolariciresinol diglucoside
Formula C32H46O16
Mw 686.27858542
CAS RN 158932-33-3
C_ID C00000652 ,
InChIKey SBVBJPHMDABKJV-BMAXLOGHNA-N
InChICode InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23-,24+,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
SMILES COc1cc(CC(CO[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@@H](CO[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)Cc2ccc(O)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum usitatissimum Ref.
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