| Properties | Image |
|---|
| MNX_ID | MNXM1130904 |
 |
| reference | lipidmapsM:LMGL05010059 |
| formula | C43H68O11 |
| global charge | 0 |
| mol weight | 761.006 |
| InChIKey | IFNPENGUFFXCFH-CGKXPTHNSA-N |
| InChI | InChI=1S/C43H68O11/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-26-38(46)51-31-34(32-52-43-42(50)41(49)40(48)37(30-44)54-43)53-39(47)27-23-19-21-24-33-28-29-36(45)35(33)25-20-6-4-2/h5-7,9-10,12-13,20,28-29,33-35,37,40-44,48-50H,3-4,8,11,14-19,21-27,30-32H2,1-2H3/b7-5-,10-9-,13-12-,20-6-/t33-,34+,35-,37+,40-,41-,42+,43+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C43H68O11/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-26-38(46)51-31-34(32-52-43-42(50)41(49)40(48)37(30-44)54-43)53-39(47)27-23-19-21-24-33-28-29-36(45)35(33)25-20-6-4-2/h5-7,9-10,12-13,20,28-29,33-35,37,40-44,48-50H,3-4,8,11,14-19,21-27,30-32H2,1-2H3/b7-5-,10-9-,13-12-,20-6-/t33-,34+,35-,37+,40-,41-,42+,43+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:22][CH2:26][C:38](=[O:46])[O:51][CH2:31][C@H:34]([CH2:32][O:52][C@H:43]1[C@H:42]([OH:50])[C@@H:41]([OH:49])[C@@H:40]([OH:48])[C@@H:37]([CH2:30][OH:44])[O:54]1)[O:53][C:39]([CH2:27][CH2:23][CH2:19][CH2:21][CH2:24][C@H:33]1[CH:28]=[CH:29][C:36](=[O:45])[C@H:35]1[CH2:25]/[CH:20]=[CH:6]\[CH2:4][CH3:2])=[O:47] |
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