| Properties | Image |
|---|
| MNX_ID | MNXM104138 |
 |
| reference | lipidmapsM:LMSL05000008 |
| formula | C32H56O12 |
| global charge | 0 |
| mol weight | 632.788 |
| InChIKey | GITOCQGOURWXPL-QLLMIGPNSA-N |
| InChI | InChI=1S/C32H56O12/c1-7-16-32(6)17-14-12-10-8-9-11-13-15-22(34)41-28-27(43-30-25(37)24(36)23(35)20(4)39-30)26(21(5)40-31(28)44-32)42-29(38)18(2)19(3)33/h18-21,23-28,30-31,33,35-37H,7-17H2,1-6H3/t18-,19-,20+,21+,23+,24-,25-,26+,27-,28-,30+,31+,32+/m1/s1 |
| SMILES | CCC[C@@]1(C)CCCCCCCCCC(=O)O[C@H]2[C@@H](O[C@@H](C)[C@H](OC(=O)[C@H](C)[C@@H](C)O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C32H56O12/c1-7-16-32(6)17-14-12-10-8-9-11-13-15-22(34)41-28-27(43-30-25(37)24(36)23(35)20(4)39-30)26(21(5)40-31(28)44-32)42-29(38)18(2)19(3)33/h18-21,23-28,30-31,33,35-37H,7-17H2,1-6H3/t18-,19-,20+,21+,23+,24-,25-,26+,27-,28-,30+,31+,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:16][C@@:32]1([CH3:6])[CH2:17][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH2:13][CH2:15][C:22](=[O:34])[O:41][C@@H:28]2[C@H:27]([O:43][C@H:30]3[C@H:25]([OH:37])[C@H:24]([OH:36])[C@@H:23]([OH:35])[C@H:20]([CH3:4])[O:39]3)[C@@H:26]([O:42][C:29]([C@H:18]([CH3:2])[C@@H:19]([CH3:3])[OH:33])=[O:38])[C@H:21]([CH3:5])[O:40][C@H:31]2[O:44]1 |
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