alpha-Spinasterol 3-glucoside

Properties Image MNX_ID MNXM119049 reference chebi:176231 formula C35H58O6 global charge 0 mol weight 574.843 InChIKey ITYGLICZKGWOPA-CMDGGOBGSA-N InChI InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+ SMILES CCC(/C=C/C(C)C1CCC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)C MNX internals InChI (mnx) InChI=1/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+/t21?,22?,23?,24?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35? SMILES (mnx) [CH3:1][CH2:7][CH:22](/[CH:9]=[CH:8]/[CH:21]([CH3:4])[CH:26]1[CH2:12][CH2:13][CH:27]2[C:25]3=[CH:11][CH2:10][CH:23]4[CH2:18][CH:24]([O:40][CH:33]5[CH:32]([OH:39])[CH:31]([OH:38])[CH:30]([OH:37])[CH:29]([CH2:19][OH:36])[O:41]5)[CH2:14][CH2:16][C:34]4([CH3:5])[CH:28]3[CH2:15][CH2:17][C:35]12[CH3:6])[CH:20]([CH3:2])[CH3:3]

Parent-child relations graph

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