dammarenediol-II

Properties Image MNX_ID MNXM4560 reference chebi:62416 formula C30H52O2 global charge 0 mol weight 444.744 InChIKey NLHQJXWYMZLQJY-TXNIMPHESA-N InChI InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1 SMILES CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])=[CH:10][CH2:9][CH2:16][C@@:30]([CH3:8])([C@H:22]1[CH2:13][CH2:18][C@:28]2([CH3:6])[C@@H:21]1[CH2:11][CH2:12][C@@H:24]1[C@@:27]3([CH3:5])[CH2:17][CH2:15][C@H:25]([OH:31])[C:26]([CH3:3])([CH3:4])[C@@H:23]3[CH2:14][CH2:19][C@:29]12[CH3:7])[OH:32]

Parent-child relations graph

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