input word = C00064307

Metabolite InformationStructural formula
Name beta-Sitosteryl oleate
Formula C47H82O2
Mw 678.63148186
CAS RN 3712-16-1
C_ID C00064307
InChIKey YVDXIVLWTCSVDW-JXMNSIJESA-N
InChICode InChI=1S/C47H82O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h16-17,27,36-38,40-44H,8-15,18-26,28-35H2,1-7H3/b17-16-/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
SMILES CCCCCCCCC=CCCCCCCCC(=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
PlantaePhyllanthaceaePhyllanthus fraternus Ref.
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OrganismPhyllanthus fraternus
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.