| Properties | Image |
|---|
| MNX_ID | MNXM38752 |
 |
| reference | lipidmapsM:LMPK12111194 |
| formula | C36H36O19 |
| global charge | 0 |
| mol weight | 772.665 |
| InChIKey | WGFOYPJYVNYXOJ-HZOQOSQISA-N |
| InChI | InChI=1S/C36H36O19/c37-12-23-28(44)32(48)34(55-35-33(49)31(47)29(45)24(54-35)13-50-25(42)8-3-14-1-5-16(38)6-2-14)36(53-23)52-22-11-21-26(30(46)27(22)43)19(41)10-20(51-21)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,43-49H,12-13H2/b8-3+/t23-,24-,28-,29-,31+,32+,33-,34-,35+,36-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC3=CC4=C(C(=O)C=C(C5=CC(O)=C(O)C=C5)O4)C(O)=C3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H36O19/c37-12-23-28(44)32(48)34(55-35-33(49)31(47)29(45)24(54-35)13-50-25(42)8-3-14-1-5-16(38)6-2-14)36(53-23)52-22-11-21-26(30(46)27(22)43)19(41)10-20(51-21)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,43-49H,12-13H2/b8-3+/t23-,24-,28-,29-,31+,32+,33-,34-,35+,36-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:5][C:16]([OH:38])=[CH:6][CH:2]=[C:14]1/[CH:3]=[CH:8]/[C:25](=[O:42])[O:50][CH2:13][C@@H:24]1[C@@H:29]([OH:45])[C@H:31]([OH:47])[C@@H:33]([OH:49])[C@H:35]([O:55][C@@H:34]2[C@@H:32]([OH:48])[C@H:28]([OH:44])[C@@H:23]([CH2:12][OH:37])[O:53][C@H:36]2[O:52][C:22]2=[CH:11][C:21]3=[C:26]([C:19](=[O:41])[CH:10]=[C:20]([C:15]4=[CH:9][C:18]([OH:40])=[C:17]([OH:39])[CH:7]=[CH:4]4)[O:51]3)[C:30]([OH:46])=[C:27]2[OH:43])[O:54]1 |
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