cycloeucalenol

Properties Image MNX_ID MNXM3001 reference chebi:16653 formula C30H50O global charge 0 mol weight 426.729 InChIKey HUNLTIZKNQDZEI-PGFZVWMDSA-N InChI InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,25+,26+,27-,28+,29-,30+/m1/s1 SMILES C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C MNX internals InChI (mnx) InChI=1/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,25+,26+,27-,28+,29-,30+/m1/s1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[C:20](=[CH2:3])[CH2:8][CH2:9][C@@H:21]([CH3:4])[C@H:23]1[CH2:12][CH2:14][C@@:28]2([CH3:7])[C@@H:26]3[CH2:11][CH2:10][C@H:24]4[C@H:22]([CH3:5])[C@@H:25]([OH:31])[CH2:13][CH2:15][C@@:29]45[CH2:18][C@@:30]35[CH2:17][CH2:16][C@:27]12[CH3:6]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 2