platanic acid

Properties Image MNX_ID MNXM108054 reference chebi:65487 formula C29H46O4 global charge 0 mol weight 458.683 InChIKey RVMPLOSJMIQORE-FUAAEJBOSA-N InChI InChI=1S/C29H46O4/c1-17(30)18-9-14-29(24(32)33)16-15-27(5)19(23(18)29)7-8-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,27)6/h18-23,31H,7-16H2,1-6H3,(H,32,33)/t18-,19+,20-,21+,22-,23+,26-,27+,28+,29-/m0/s1 SMILES CC(=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 MNX internals InChI (mnx) InChI=1/C29H46O4/c1-17(30)18-9-14-29(24(32)33)16-15-27(5)19(23(18)29)7-8-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,27)6/h18-23,31H,7-16H2,1-6H3,(H,32,33)/t18-,19+,20-,21+,22-,23+,26-,27+,28+,29-/m0/s1 SMILES (mnx) [CH3:1][C:17]([C@@H:18]1[CH2:9][CH2:14][C@:29]2([C:24](=[O:32])[OH:33])[CH2:16][CH2:15][C@:27]3([CH3:5])[C@H:19]([CH2:7][CH2:8][C@@H:21]4[C@@:26]5([CH3:4])[CH2:12][CH2:11][C@H:22]([OH:31])[C:25]([CH3:2])([CH3:3])[C@@H:20]5[CH2:10][CH2:13][C@:28]43[CH3:6])[C@@H:23]12)=[O:30]

Parent-child relations graph

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