Ichangin 4-glucoside

Properties Image MNX_ID MNXM126667 reference chebi:168813 formula C32H42O14 global charge 0 mol weight 650.674 InChIKey MUZOGCSYWJPGRB-UHFFFAOYSA-N InChI InChI=1S/C32H42O14/c1-28(2,40)17-9-18(34)30(4)16(5-7-29(3)24(14-6-8-41-12-14)45-26(39)25-32(29,30)46-25)31(17)13-42-20(35)10-19(31)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38,40H,5,7,9-11,13H2,1-4H3 SMILES CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(C4=COC=C4)OC(=O)C4OC432)C12COC(=O)CC2OC1OC(CO)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C32H42O14/c1-28(2,40)17-9-18(34)30(4)16(5-7-29(3)24(14-6-8-41-12-14)45-26(39)25-32(29,30)46-25)31(17)13-42-20(35)10-19(31)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38,40H,5,7,9-11,13H2,1-4H3/t15?,16?,17?,19?,21?,22?,23?,24?,25?,27?,29?,30?,31?,32? SMILES (mnx) [CH3:1][C:28]([CH3:2])([CH:17]1[CH2:9][C:18](=[O:34])[C:30]2([CH3:4])[CH:16]([CH2:5][CH2:7][C:29]3([CH3:3])[CH:24]([C:14]4=[CH:12][O:41][CH:8]=[CH:6]4)[O:45][C:26](=[O:39])[CH:25]4[C:32]32[O:46]4)[C:31]12[CH2:13][O:42][C:20](=[O:35])[CH2:10][CH:19]2[O:44][CH:27]1[CH:23]([OH:38])[CH:22]([OH:37])[CH:21]([OH:36])[CH:15]([CH2:11][OH:33])[O:43]1)[OH:40]

Parent-child relations graph

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