| Properties | Image |
|---|
| MNX_ID | MNXM1130459 |
 |
| reference | lipidmapsM:LMFA02000384 |
| formula | C28H44O8 |
| global charge | 0 |
| mol weight | 508.652 |
| InChIKey | WCGSGSGEWBWAQG-ZWALSSILSA-N |
| InChI | InChI=1S/C28H44O8/c1-5-6-7-9-12-15-21-26(30)22(16-13-10-8-11-14-17-25(29)34-4)36-28(35-21)20-18-23(32-2)27(31)24(19-20)33-3/h12,15,18-19,21-22,26,28,30-31H,5-11,13-14,16-17H2,1-4H3/b15-12-/t21-,22+,26-,28-/m1/s1 |
| SMILES | CCCCC/C=C\[C@H]1O[C@@H](C2=CC(OC)=C(O)C(OC)=C2)O[C@@H](CCCCCCCC(=O)OC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H44O8/c1-5-6-7-9-12-15-21-26(30)22(16-13-10-8-11-14-17-25(29)34-4)36-28(35-21)20-18-23(32-2)27(31)24(19-20)33-3/h12,15,18-19,21-22,26,28,30-31H,5-11,13-14,16-17H2,1-4H3/b15-12-/t21-,22+,26-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:9]/[CH:12]=[CH:15]\[C@@H:21]1[C@@H:26]([OH:30])[C@H:22]([CH2:16][CH2:13][CH2:10][CH2:8][CH2:11][CH2:14][CH2:17][C:25](=[O:29])[O:34][CH3:4])[O:36][C@H:28]([C:20]2=[CH:18][C:23]([O:32][CH3:2])=[C:27]([OH:31])[C:24]([O:33][CH3:3])=[CH:19]2)[O:35]1 |
|