input word = C00063638

Metabolite InformationStructural formula
Name beta-Sitosteryl pentadecanoate
Formula C44H78O2
Mw 638.60018173
CAS RN 109031-09-6
C_ID C00063638
InChIKey LEOQQVTXYNHBPE-ZBGFAQEVSA-N
InChICode InChI=1S/C44H78O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)34(5)22-23-35(9-2)33(3)4/h24,33-35,37-41H,8-23,25-32H2,1-7H3/t34-,35-,37+,38+,39-,40+,41+,43+,44-/m1/s1
SMILES CCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(CC)C(C)C)CCC32)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAegle marmelos Ref.
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