25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside]

Properties Image MNX_ID MNXM117075 reference chebi:190822 formula C43H62O18 global charge 0 mol weight 866.951 InChIKey SQETUVZNOCBWJQ-VAWYXSNFSA-N InChI InChI=1S/C43H62O18/c1-18-20-9-10-26-40(5)14-23(47)36(43(8,56)27(48)11-12-39(3,4)61-19(2)45)41(40,6)15-28(49)42(26,7)21(20)13-22(46)35(18)60-38-34(55)32(53)30(51)25(59-38)17-57-37-33(54)31(52)29(50)24(16-44)58-37/h9-13,23-27,29-34,36-38,44,46-48,50-56H,14-17H2,1-8H3/b12-11+ SMILES CC(=O)OC(C)(C)/C=C/C(O)C(C)(O)C1C(O)CC2(C)C3C=CC4=C(C=C(O)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)=C4C)C3(C)C(=O)CC12C MNX internals InChI (mnx) InChI=1/C43H62O18/c1-18-20-9-10-26-40(5)14-23(47)36(43(8,56)27(48)11-12-39(3,4)61-19(2)45)41(40,6)15-28(49)42(26,7)21(20)13-22(46)35(18)60-38-34(55)32(53)30(51)25(59-38)17-57-37-33(54)31(52)29(50)24(16-44)58-37/h9-13,23-27,29-34,36-38,44,46-48,50-56H,14-17H2,1-8H3/b12-11+/t23?,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,36?,37?,38?,40?,41?,42?,43? SMILES (mnx) [CH3:1][C:18]1=[C:20]2[CH:9]=[CH:10][CH:26]3[C:40]4([CH3:5])[CH2:14][CH:23]([OH:47])[CH:36]([C:43]([CH3:8])([CH:27](/[CH:11]=[CH:12]/[C:39]([CH3:3])([CH3:4])[O:61][C:19]([CH3:2])=[O:45])[OH:48])[OH:56])[C:41]4([CH3:6])[CH2:15][C:28](=[O:49])[C:42]3([CH3:7])[C:21]2=[CH:13][C:22]([OH:46])=[C:35]1[O:60][CH:38]1[CH:34]([OH:55])[CH:32]([OH:53])[CH:30]([OH:51])[CH:25]([CH2:17][O:57][CH:37]2[CH:33]([OH:54])[CH:31]([OH:52])[CH:29]([OH:50])[CH:24]([CH2:16][OH:44])[O:58]2)[O:59]1

Parent-child relations graph

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