| Properties | Image |
|---|
| MNX_ID | MNXM152307 |
 |
| reference | lipidmapsM:LMGL05010034 |
| formula | C45H70O12 |
| global charge | 0 |
| mol weight | 803.043 |
| InChIKey | SYJOSMLJXIQXFJ-YENLXDNHSA-N |
| InChI | InChI=1S/C45H70O12/c1-3-5-13-21-35-32(25-27-37(35)47)19-15-9-7-11-17-23-40(49)54-30-34(31-55-45-44(53)43(52)42(51)39(29-46)57-45)56-41(50)24-18-12-8-10-16-20-33-26-28-38(48)36(33)22-14-6-4-2/h5-6,13-14,25-28,32-36,39,42-46,51-53H,3-4,7-12,15-24,29-31H2,1-2H3/b13-5-,14-6-/t32-,33-,34+,35-,36-,39+,42-,43-,44+,45+/m0/s1 |
| SMILES | CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C45H70O12/c1-3-5-13-21-35-32(25-27-37(35)47)19-15-9-7-11-17-23-40(49)54-30-34(31-55-45-44(53)43(52)42(51)39(29-46)57-45)56-41(50)24-18-12-8-10-16-20-33-26-28-38(48)36(33)22-14-6-4-2/h5-6,13-14,25-28,32-36,39,42-46,51-53H,3-4,7-12,15-24,29-31H2,1-2H3/b13-5-,14-6-/t32-,33-,34+,35-,36-,39+,42-,43-,44+,45+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:13]\[CH2:21][C@H:35]1[C@@H:32]([CH2:19][CH2:15][CH2:9][CH2:7][CH2:11][CH2:17][CH2:23][C:40](=[O:49])[O:54][CH2:30][C@H:34]([CH2:31][O:55][C@H:45]2[C@H:44]([OH:53])[C@@H:43]([OH:52])[C@@H:42]([OH:51])[C@@H:39]([CH2:29][OH:46])[O:57]2)[O:56][C:41]([CH2:24][CH2:18][CH2:12][CH2:8][CH2:10][CH2:16][CH2:20][C@H:33]2[CH:26]=[CH:28][C:38](=[O:48])[C@H:36]2[CH2:22]/[CH:14]=[CH:6]\[CH2:4][CH3:2])=[O:50])[CH:25]=[CH:27][C:37]1=[O:47] |
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