input word = C00058292

Metabolite InformationStructural formula
Name beta-Sitosterol 6-oleoylglucoside
Formula C57H100O12
Mw 976.72147866
CAS RN 98941-83-4
C_ID C00058292
InChIKey WLABGUUYZMYHKR-UHFFFAOYSA-N
InChICode InChI=1S/C57H100O12/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-47(58)65-34-45-48(59)50(61)52(63)54(68-45)66-35-46-49(60)51(62)53(64)55(69-46)67-40-29-31-56(6)39(33-40)25-26-41-43-28-27-42(57(43,7)32-30-44(41)56)37(5)23-24-38(9-2)36(3)4/h25,36-38,40-46,48-55,59-64H,8-24,26-35H2,1-7H3
SMILES CC12C(CCC2C(CCC(CC)C(C)C)C)C3CC=C4CC(OC5C(O)C(O)C(O)C(COC6OC(COC(CCCCCCCCCCCCCCC)=O)C(O)C(O)C6O)O5)CCC4(C)C3CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMusaceaeMusa paradisiaca Ref.
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