| Properties | Image |
|---|
| MNX_ID | MNXM1131067 |
 |
| reference | lipidmapsM:LMPK12113397 |
| formula | C27H34O6 |
| global charge | 0 |
| mol weight | 454.563 |
| InChIKey | BHQQDOAHSFFCFD-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H34O6/c1-5-7-9-11-17-13-19(31-3)15-21(28)23(17)27-26(30)25(29)24-18(12-10-8-6-2)14-20(32-4)16-22(24)33-27/h13-16,28,30H,5-12H2,1-4H3 |
| SMILES | CCCCCC1=CC(OC)=CC2=C1C(=O)C(O)=C(C1=C(CCCCC)C=C(OC)C=C1O)O2 |
MNX internals
| InChI (mnx) | InChI=1/C27H34O6/c1-5-7-9-11-17-13-19(31-3)15-21(28)23(17)27-26(30)25(29)24-18(12-10-8-6-2)14-20(32-4)16-22(24)33-27/h13-16,28,30H,5-12H2,1-4H3 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][C:17]1=[CH:13][C:19]([O:31][CH3:3])=[CH:15][C:21]([OH:28])=[C:23]1[C:27]1=[C:26]([OH:30])[C:25](=[O:29])[C:24]2=[C:22]([CH:16]=[C:20]([O:32][CH3:4])[CH:14]=[C:18]2[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[O:33]1 |
|