| Properties | Image |
|---|
| MNX_ID | MNXM1130458 |
 |
| reference | lipidmapsM:LMFA02000383 |
| formula | C27H42O7 |
| global charge | 0 |
| mol weight | 478.626 |
| InChIKey | BRAJKTXAHZAWAJ-CXJDUWBVSA-N |
| InChI | InChI=1S/C27H42O7/c1-4-5-6-8-11-14-22-26(30)23(15-12-9-7-10-13-16-25(29)32-3)34-27(33-22)20-17-18-21(28)24(19-20)31-2/h11,14,17-19,22-23,26-28,30H,4-10,12-13,15-16H2,1-3H3/b14-11-/t22-,23+,26-,27-/m1/s1 |
| SMILES | CCCCC/C=C\[C@H]1O[C@@H](C2=CC=C(O)C(OC)=C2)O[C@@H](CCCCCCCC(=O)OC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H42O7/c1-4-5-6-8-11-14-22-26(30)23(15-12-9-7-10-13-16-25(29)32-3)34-27(33-22)20-17-18-21(28)24(19-20)31-2/h11,14,17-19,22-23,26-28,30H,4-10,12-13,15-16H2,1-3H3/b14-11-/t22-,23+,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:8]/[CH:11]=[CH:14]\[C@@H:22]1[C@@H:26]([OH:30])[C@H:23]([CH2:15][CH2:12][CH2:9][CH2:7][CH2:10][CH2:13][CH2:16][C:25](=[O:29])[O:32][CH3:3])[O:34][C@H:27]([C:20]2=[CH:19][C:24]([O:31][CH3:2])=[C:21]([OH:28])[CH:18]=[CH:17]2)[O:33]1 |
|