18:1-Glc-Sitosterol

Properties Image Occurences in reactions MNX_ID MNXM150280 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C53H92O7 charge 0 mass 840.68431 reference lipidmapsM:LMST01040217 InChIKey MEEONOMPSMYAQO-UGSKSBFBSA-N InChI InChI=1S/C53H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h16-17,27,37-39,41-46,48-51,55-57H,8-15,18-26,28-36H2,1-7H3/b17-16-/t38-,39-,41+,42+,43-,44+,45+,46?,48-,49?,50?,51-,52+,53-/m1/s1 SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OCC1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CC[C@@H](CC)C(C)C)C2)C(O)C(O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph