20:3 Stigmasterol ester

Properties Image Occurences in reactions MNX_ID MNXM150685 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C49H80O2 charge 0 mass 700.61583 reference lipidmapsM:LMST01020081 InChIKey ZVTHFLLSKPVEBQ-ODZMKCHJSA-N InChI InChI=1S/C49H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-47(50)51-42-33-35-48(6)41(37-42)29-30-43-45-32-31-44(49(45,7)36-34-46(43)48)39(5)27-28-40(9-2)38(3)4/h10-11,13-14,16-17,27-29,38-40,42-46H,8-9,12,15,18-26,30-37H2,1-7H3/b11-10-,14-13-,17-16-,28-27+/t39-,40-,42+,43+,44-,45+,46+,48+,49-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@@H](CC)C(C)C)C1

Parent-child relations graph

Deprecated MNXref IDs graph