alpha-amyrin

Properties Image MNX_ID MNXM4443 reference chebi:10213 formula C30H50O global charge 0 mol weight 426.729 InChIKey FSLPMRQHCOLESF-SFMCKYFRSA-N InChI InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1 SMILES C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=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/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:11][CH2:14][C@:27]2([CH3:5])[CH2:17][CH2:18][C@:29]3([CH3:7])[C:21](=[CH:9][CH2:10][C@@H:23]4[C@@:28]5([CH3:6])[CH2:15][CH2:13][C@H:24]([OH:31])[C:26]([CH3:3])([CH3:4])[C@@H:22]5[CH2:12][CH2:16][C@:30]43[CH3:8])[C@@H:25]2[C@H:20]1[CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 1