| Properties | Image |
|---|
| MNX_ID | MNXM35689 |
 |
| reference | lipidmapsM:LMST03020565 |
| formula | C26H44O2 |
| global charge | 0 |
| mol weight | 388.636 |
| InChIKey | LJMDYVKRZKWSKK-QNVYRYJHSA-N |
| InChI | InChI=1S/C26H44O2/c1-19(8-6-16-25(2,3)28)23-14-15-24-21(10-7-17-26(23,24)4)13-12-20-9-5-11-22(27)18-20/h12-13,19,22-24,27-28H,5-11,14-18H2,1-4H3/b20-12+,21-13+/t19-,22+,23-,24+,26-/m1/s1 |
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3\CCC[C@H](O)C3)CCC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C26H44O2/c1-19(8-6-16-25(2,3)28)23-14-15-24-21(10-7-17-26(23,24)4)13-12-20-9-5-11-22(27)18-20/h12-13,19,22-24,27-28H,5-11,14-18H2,1-4H3/b20-12+,21-13+/t19-,22+,23-,24+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:19]([CH2:8][CH2:6][CH2:16][C:25]([CH3:2])([CH3:3])[OH:28])[C@H:23]1[CH2:14][CH2:15][C@H:24]2/[C:21](=[CH:13]/[CH:12]=[C:20]3\[CH2:9][CH2:5][CH2:11][C@H:22]([OH:27])[CH2:18]3)[CH2:10][CH2:7][CH2:17][C@:26]12[CH3:4] |
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