Rollinecin A

Properties Image MNX_ID MNXM130348 reference chebi:170879 formula C37H68O7 global charge 0 mol weight 624.944 InChIKey XNZJLZFJXAKNCP-BVBFTAESSA-N InChI InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31+,32+,33-,34+,35+,36?/m0/s1 SMILES CCCCCCCCCCCC[C@H](O)[C@H]1CCC([C@H](O)CC[C@H](O)CCCCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1 MNX internals InChI (mnx) InChI=1/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,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:35]1[CH2:25][CH2:26][CH:36]([C@@H:34]([CH2:24][CH2:23][C@@H:31]([CH2:20][CH2:17][CH2:14][CH2:11][CH2:10][CH2:12][CH2:15][CH2:18][CH2:21][C@H:32]([CH2:28][C:30]2=[CH:27][C@H:29]([CH3:2])[O:43][C:37]2=[O:42])[OH:39])[OH:38])[OH:41])[O:44]1)[OH:40]

Parent-child relations graph

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