zizyberanalic acid

Properties Image MNX_ID MNXM114048 reference chebi:67591 formula C30H46O4 global charge 0 mol weight 470.694 InChIKey SLWJVQQNDGLXTK-IMBMMKFRSA-N InChI InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1 SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 MNX internals InChI (mnx) InChI=1/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1 SMILES (mnx) [CH2:1]=[C:17]([CH3:2])[C@@H:18]1[CH2:10][CH2:13][C@:30]2([C:25](=[O:33])[OH:34])[CH2:15][CH2:14][C@:27]3([CH3:5])[C@H:19]([CH2:8][CH2:9][C@H:22]4[C@@:28]3([CH3:6])[CH2:12][CH2:11][C@H:21]3[C:26]([CH3:3])([CH3:4])[C@H:24]([OH:32])[C@@H:20]([CH:16]=[O:31])[C@@:29]34[CH3:7])[C@@H:23]12

Parent-child relations graph

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