11-alpha-O-beta-D-Glucopyranosyl-16alpha-O-methylneoquassin

Properties Image MNX_ID MNXM116103 reference chebi:191791 formula C29H44O11 global charge 0 mol weight 568.66 InChIKey HVJMGXBLFUQCGE-UHFFFAOYSA-N InChI InChI=1S/C29H44O11/c1-12-8-16(35-5)26(34)29(4)14(12)9-18-28(3)15(10-19(36-6)39-18)13(2)23(37-7)24(25(28)29)40-27-22(33)21(32)20(31)17(11-30)38-27/h8,12,14-15,17-22,24-25,27,30-33H,9-11H2,1-7H3 SMILES COC1=CC(C)C2CC3OC(OC)CC4C(C)=C(OC)C(OC5OC(CO)C(O)C(O)C5O)C(C2(C)C1=O)C34C MNX internals InChI (mnx) InChI=1/C29H44O11/c1-12-8-16(35-5)26(34)29(4)14(12)9-18-28(3)15(10-19(36-6)39-18)13(2)23(37-7)24(25(28)29)40-27-22(33)21(32)20(31)17(11-30)38-27/h8,12,14-15,17-22,24-25,27,30-33H,9-11H2,1-7H3/t12?,14?,15?,17?,18?,19?,20?,21?,22?,24?,25?,27?,28?,29? SMILES (mnx) [CH3:1][CH:12]1[CH:8]=[C:16]([O:35][CH3:5])[C:26](=[O:34])[C:29]2([CH3:4])[CH:14]1[CH2:9][CH:18]1[C:28]3([CH3:3])[CH:15]([CH2:10][CH:19]([O:36][CH3:6])[O:39]1)[C:13]([CH3:2])=[C:23]([O:37][CH3:7])[CH:24]([O:40][CH:27]1[CH:22]([OH:33])[CH:21]([OH:32])[CH:20]([OH:31])[CH:17]([CH2:11][OH:30])[O:38]1)[CH:25]32

Parent-child relations graph

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