Bullatacinone

Properties Image MNX_ID MNXM44910 reference chebi:3212 formula C37H66O7 global charge 0 mol weight 622.928 InChIKey KGGVWMAPBXIMEM-ZRTAFWODSA-N InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31+,32-,33-,34-,35-,36-/m1/s1 SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCC[C@@H]3C[C@@H](CC(C)=O)C(=O)O3)O2)O1 MNX internals InChI (mnx) InChI=1/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31+,32-,33-,34-,35-,36-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:11][CH2:14][CH2:17][CH2:20][C@@H:31]([C@H:33]1[CH2:22][CH2:24][C@H:35]([C@H:36]2[CH2:25][CH2:23][C@H:34]([C@@H:32]([CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:8][CH2:10][CH2:13][CH2:16][CH2:19][C@@H:30]3[CH2:27][C@@H:29]([CH2:26][C:28]([CH3:2])=[O:38])[C:37](=[O:41])[O:42]3)[OH:40])[O:44]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