input word = C00059169

Metabolite InformationStructural formula
Name alpha-Sitosterol
Formula C30H50O
Mw 426.38616622
CAS RN 11040-28-1
C_ID C00059169
InChIKey LPZCCMIISIBREI-GUPKAATASA-N
InChICode InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21?,24-,25+,26+,27+,28+,29-,30+/m1/s1
SMILES CC=C(CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC21C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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