| Properties | Image |
|---|
| MNX_ID | MNXM1130486 |
 |
| reference | lipidmapsM:LMFA03010231 |
| formula | C25H42O7 |
| global charge | 0 |
| mol weight | 454.604 |
| InChIKey | UCDVJJUZUIUYBP-WUSXKSSPSA-N |
| InChI | InChI=1S/C25H42O7/c1-5-6-9-12-20(31-18(2)26)15-16-22-21(23(28)17-24(22)32-19(3)27)13-10-7-8-11-14-25(29)30-4/h15-16,20-24,28H,5-14,17H2,1-4H3/b16-15+/t20-,21+,22+,23-,24+/m0/s1 |
| SMILES | CCCCC[C@@H](/C=C/[C@@H]1[C@@H](CCCCCCC(=O)OC)[C@@H](O)C[C@H]1OC(C)=O)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C25H42O7/c1-5-6-9-12-20(31-18(2)26)15-16-22-21(23(28)17-24(22)32-19(3)27)13-10-7-8-11-14-25(29)30-4/h15-16,20-24,28H,5-14,17H2,1-4H3/b16-15+/t20-,21+,22+,23-,24+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:9][CH2:12][C@@H:20](/[CH:15]=[CH:16]/[C@@H:22]1[C@@H:21]([CH2:13][CH2:10][CH2:7][CH2:8][CH2:11][CH2:14][C:25](=[O:29])[O:30][CH3:4])[C@@H:23]([OH:28])[CH2:17][C@H:24]1[O:32][C:19]([CH3:3])=[O:27])[O:31][C:18]([CH3:2])=[O:26] |
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