**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

(9Z)-17-[(6-O-acetyl-beta-D-glucosyl-(1->2)-6-O-acetyl-beta-D-glucosyl)oxy]-octadec-9-eno-1,4''-lactone

Properties Image MNX_ID MNXM747430 reference chebi:144063 formula C34H56O14 global charge 0 mol weight 688.808 InChIKey OGTXYHUVJIPSDT-SUSYOOEZSA-N InChI InChI=1S/C34H56O14/c1-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)47-31-25(20-43-23(3)36)46-33(30(41)29(31)40)48-32-28(39)27(38)24(19-42-22(2)35)45-34(32)44-21/h4-5,21,24-25,27-34,38-41H,6-20H2,1-3H3/b5-4-/t21?,24-,25-,27-,28+,29?,30?,31-,32-,33+,34-/m1/s1 SMILES CC(=O)OC[C@H]1O[C@H]2OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H]1O)O[C@@H]3COC(C)=O MNX internals InChI (mnx) InChI=1/C34H56O14/c1-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)47-31-25(20-43-23(3)36)46-33(30(41)29(31)40)48-32-28(39)27(38)24(19-42-22(2)35)45-34(32)44-21/h4-5,21,24-25,27-34,38-41H,6-20H2,1-3H3/b5-4-/t21?,24-,25-,27-,28+,29?,30?,31-,32-,33+,34-/m1/s1 SMILES (mnx) [CH3:1][CH:21]1[CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7]/[CH:5]=[CH:4]\[CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][C:26](=[O:37])[O:47][C@@H:31]2[C@@H:25]([CH2:20][O:43][C:23]([CH3:3])=[O:36])[O:46][C@H:33]([C@H:30]([OH:41])[C@H:29]2[OH:40])[O:48][C@@H:32]2[C@@H:28]([OH:39])[C@H:27]([OH:38])[C@@H:24]([CH2:19][O:42][C:22]([CH3:2])=[O:35])[O:45][C@H:34]2[O:44]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:144063 chebi:144063 OGTXYHUVJIPSDT-SUSYOOEZSA-N	(9Z)-17-[(6-O-acetyl-beta-D-glucosyl-(1->2)-6-O-acetyl-beta-D-glucosyl)oxy]-octadec-9-eno-1,4''-lactone