| Properties | Image |
|---|
| MNX_ID | MNXM156310 |
 |
| reference | lipidmapsM:LMGL05010029 |
| formula | C43H74O11 |
| global charge | 0 |
| mol weight | 767.054 |
| InChIKey | GRQWEXRTFAUFIC-BCDAHGNSSA-N |
| InChI | InChI=1S/C43H74O11/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)51-33-35(34-52-43-40(48)38(46)39(47)41(54-43)42(49)50)53-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38-41,43,46-48H,3-4,6,8-10,12,14-16,19-34H2,1-2H3,(H,49,50)/b7-5-,13-11-,18-17-/t35-,38+,39+,40-,41+,43+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H74O11/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)51-33-35(34-52-43-40(48)38(46)39(47)41(54-43)42(49)50)53-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38-41,43,46-48H,3-4,6,8-10,12,14-16,19-34H2,1-2H3,(H,49,50)/b7-5-,13-11-,18-17-/t35-,38+,39+,40-,41+,43+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:44])[O:51][CH2:33][C@H:35]([CH2:34][O:52][C@@H:43]1[C@H:40]([OH:48])[C@@H:38]([OH:46])[C@H:39]([OH:47])[C@@H:41]([C:42](=[O:49])[OH:50])[O:54]1)[O:53][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
|