| Properties | Image |
|---|
| MNX_ID | MNXM80354 |
 |
| reference | lipidmapsM:LMPK12112129 |
| formula | C32H38O21 |
| global charge | 0 |
| mol weight | 758.635 |
| InChIKey | PNRUTIKOCMXSIP-JYVKGLRRSA-N |
| InChI | InChI=1S/C32H38O21/c33-6-16-20(40)23(43)26(46)31(50-16)49-14-3-9(1-2-11(14)36)27-28(22(42)18-12(37)4-10(35)5-15(18)48-27)52-32-29(24(44)21(41)17(7-34)51-32)53-30-25(45)19(39)13(38)8-47-30/h1-5,13,16-17,19-21,23-26,29-41,43-46H,6-8H2/t13-,16-,17-,19+,20-,21-,23+,24+,25-,26-,29-,30+,31-,32+/m1/s1 |
| SMILES | O=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C2)OC2=C1C(O)=CC(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C32H38O21/c33-6-16-20(40)23(43)26(46)31(50-16)49-14-3-9(1-2-11(14)36)27-28(22(42)18-12(37)4-10(35)5-15(18)48-27)52-32-29(24(44)21(41)17(7-34)51-32)53-30-25(45)19(39)13(38)8-47-30/h1-5,13,16-17,19-21,23-26,29-41,43-46H,6-8H2/t13-,16-,17-,19+,20-,21-,23+,24+,25-,26-,29-,30+,31-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]([OH:36])=[C:14]([O:49][C@H:31]2[C@H:26]([OH:46])[C@@H:23]([OH:43])[C@H:20]([OH:40])[C@@H:16]([CH2:6][OH:33])[O:50]2)[CH:3]=[C:9]1[C:27]1=[C:28]([O:52][C@H:32]2[C@H:29]([O:53][C@H:30]3[C@H:25]([OH:45])[C@@H:19]([OH:39])[C@H:13]([OH:38])[CH2:8][O:47]3)[C@@H:24]([OH:44])[C@H:21]([OH:41])[C@@H:17]([CH2:7][OH:34])[O:51]2)[C:22](=[O:42])[C:18]2=[C:12]([OH:37])[CH:4]=[C:10]([OH:35])[CH:5]=[C:15]2[O:48]1 |
|