18:0 Sitosterol ester

Properties Image Occurences in reactions MNX_ID MNXM150269 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C47H84O2 charge 0 mass 680.64713 reference lipidmapsM:LMST01020048 InChIKey ZXGIHLGVUYXAEI-QXKOIZLYSA-N InChI InChI=1S/C47H84O2/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/h27,36-38,40-44H,8-26,28-35H2,1-7H3/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1 SMILES CCCCCCCCCCCCCCCCCC(=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)CC[C@@H](CC)C(C)C)C1

Parent-child relations graph

Deprecated MNXref IDs graph