Tsugaric acid A

Properties Image MNX_ID MNXM145127 reference chebi:175828 formula C32H50O4 global charge 0 mol weight 498.748 InChIKey FIWGZIBLJWZUEA-NFOHWCJDSA-N InChI InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22-,23-,26+,27+,30-,31-,32+/m1/s1 SMILES CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3 MNX internals InChI (mnx) InChI=1/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22-,23-,26+,27+,30-,31-,32+/m1/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])=[CH:10][CH2:9][CH2:11][C@H:22]([C@H:23]1[CH2:14][CH2:18][C@@:32]2([CH3:8])[C:25]3=[C:24]([CH2:15][CH2:19][C@:31]12[CH3:7])[C@@:30]1([CH3:6])[CH2:17][CH2:16][C@H:27]([O:36][C:21]([CH3:3])=[O:33])[C:29]([CH3:4])([CH3:5])[C@@H:26]1[CH2:13][CH2:12]3)[C:28](=[O:34])[OH:35]

Parent-child relations graph

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