Rollidecin D

Properties Image MNX_ID MNXM130346 reference chebi:176213 formula C37H66O6 global charge 0 mol weight 606.929 InChIKey KEMYLKFITCBCHA-XVDUUFTGSA-N InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-19-22-33(39)34-25-26-36(43-34)35-24-23-32(42-35)21-18-15-12-10-11-14-17-20-31(38)28-30-27-29(2)41-37(30)40/h27,29,31-36,38-39H,3-26,28H2,1-2H3/t29-,31+,32+,33+,34+,35-,36-/m0/s1 SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1 MNX internals InChI (mnx) InChI=1/C37H66O6/c1-3-4-5-6-7-8-9-13-16-19-22-33(39)34-25-26-36(43-34)35-24-23-32(42-35)21-18-15-12-10-11-14-17-20-31(38)28-30-27-29(2)41-37(30)40/h27,29,31-36,38-39H,3-26,28H2,1-2H3/t29-,31+,32+,33+,34+,35-,36-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:13][CH2:16][CH2:19][CH2:22][C@H:33]([C@H:34]1[CH2:25][CH2:26][C@@H:36]([C@@H:35]2[CH2:24][CH2:23][C@@H:32]([CH2:21][CH2:18][CH2:15][CH2:12][CH2:10][CH2:11][CH2:14][CH2:17][CH2:20][C@H:31]([CH2:28][C:30]3=[CH:27][C@H:29]([CH3:2])[O:41][C:37]3=[O:40])[OH:38])[O:42]2)[O:43]1)[OH:39]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0