Baliospermin

Properties Image MNX_ID MNXM43288 reference chebi:2987 formula C32H50O8 global charge 0 mol weight 562.744 InChIKey JGUYJMIAKPTIAH-MTAILJIJSA-N InChI InChI=1S/C32H50O8/c1-6-7-8-9-10-11-12-13-14-15-22(34)39-30-17-20(3)31(37)21-16-19(2)25(35)32(21,38)27(36)29(18-33)26(40-29)23(31)24(30)28(30,4)5/h16,20-21,23-24,26-27,33,36-38H,6-15,17-18H2,1-5H3/t20-,21+,23-,24-,26+,27-,29+,30+,31+,32-/m1/s1 SMILES CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@H]([C@@H]1C2(C)C)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]13 MNX internals InChI (mnx) InChI=1/C32H50O8/c1-6-7-8-9-10-11-12-13-14-15-22(34)39-30-17-20(3)31(37)21-16-19(2)25(35)32(21,38)27(36)29(18-33)26(40-29)23(31)24(30)28(30,4)5/h16,20-21,23-24,26-27,33,36-38H,6-15,17-18H2,1-5H3/t20-,21+,23-,24-,26+,27-,29+,30+,31+,32-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:22](=[O:34])[O:39][C@@:30]12[CH2:17][C@@H:20]([CH3:3])[C@:31]3([OH:37])[C@@H:21]4[CH:16]=[C:19]([CH3:2])[C:25](=[O:35])[C@@:32]4([OH:38])[C@H:27]([OH:36])[C@:29]4([CH2:18][OH:33])[C@H:26]([C@H:23]3[C@@H:24]1[C:28]2([CH3:4])[CH3:5])[O:40]4

Parent-child relations graph

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