input word = C00051246

Metabolite InformationStructural formula
Name Leptostachyol acetate
Formula C26H28O12
Mw 532.15807636
CAS RN 35770-58-2
C_ID C00051246
InChIKey WDWKBCKXTIIDOK-UHFFFAOYNA-N
InChICode InChI=1S/C26H28O12/c1-12(27)38-26-9-33-20(18-14(28-2)6-16-21(23(18)30-4)36-10-34-16)13(26)8-32-25(26)19-15(29-3)7-17-22(24(19)31-5)37-11-35-17/h6-7,13,20,25H,8-11H2,1-5H3
SMILES COc1cc2c(c(OC)c1C1OCC3(OC(C)=O)C(c4c(OC)cc5c(c4OC)OCO5)OCC13)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhrymaceaePhryma leptostachya Ref.
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