input word = C00061542

Metabolite InformationStructural formula
Name (-)-3'-Demethylisolariciresinol-9'-hydroxyisopropyl ether
Formula C22H28O7
Mw 404.18350325
CAS RN 349150-65-8
C_ID C00061542
InChIKey WNLZLIWFZQJOJW-HTZUNMPGSA-N
InChICode InChI=1S/C22H28O7/c1-22(2,27)29-11-16-14(10-23)6-13-8-20(28-3)19(26)9-15(13)21(16)12-4-5-17(24)18(25)7-12/h4-5,7-9,14,16,21,23-27H,6,10-11H2,1-3H3/t14-,16-,21-/m0/s1
SMILES COc1cc2c(cc1O)C(c1ccc(O)c(O)c1)C(COC(C)(C)O)C(CO)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
zoom in