| Properties | Image |
|---|
| MNX_ID | MNXM30580 |
 |
| reference | lipidmapsM:LMST03020502 |
| formula | C31H52O4 |
| global charge | 0 |
| mol weight | 488.753 |
| InChIKey | FKQONHKFAZAIOK-HPVXSBMKSA-N |
| InChI | InChI=1S/C31H52O4/c1-7-31(34,8-2)19-10-9-18-30(5,35-6)28-16-15-26-23(12-11-17-29(26,28)4)13-14-24-20-25(32)21-27(33)22(24)3/h13-14,25-28,32-34H,3,7-12,15-21H2,1-2,4-6H3/b23-13+,24-14-/t25-,26+,27+,28+,29+,30+/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@](C)(CCCCC(O)(CC)CC)OC)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C31H52O4/c1-7-31(34,8-2)19-10-9-18-30(5,35-6)28-16-15-26-23(12-11-17-29(26,28)4)13-14-24-20-25(32)21-27(33)22(24)3/h13-14,25-28,32-34H,3,7-12,15-21H2,1-2,4-6H3/b23-13+,24-14-/t25-,26+,27+,28+,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][C:31]([CH2:8][CH3:2])([CH2:19][CH2:10][CH2:9][CH2:18][C@@:30]([CH3:5])([C@H:28]1[CH2:16][CH2:15][C@H:26]2/[C:23](=[CH:13]/[CH:14]=[C:24]3/[CH2:20][C@@H:25]([OH:32])[CH2:21][C@H:27]([OH:33])[C:22]3=[CH2:3])[CH2:12][CH2:11][CH2:17][C@@:29]21[CH3:4])[O:35][CH3:6])[OH:34] |
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