| Properties | Image |
|---|
| MNX_ID | MNXM26530 |
 |
| reference | lipidmapsM:LMPK12140345 |
| formula | C27H32O5 |
| global charge | 0 |
| mol weight | 436.548 |
| InChIKey | BEIJZISKRUUKGP-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H32O5/c1-15(2)7-9-18-13-19(10-12-22(18)31-6)23-14-21(28)24-26(30)17(5)25(29)20(27(24)32-23)11-8-16(3)4/h7-8,10,12-13,23,29-30H,9,11,14H2,1-6H3 |
| SMILES | COC1=C(CC=C(C)C)C=C(C2CC(=O)C3=C(O)C(C)=C(O)C(CC=C(C)C)=C3O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H32O5/c1-15(2)7-9-18-13-19(10-12-22(18)31-6)23-14-21(28)24-26(30)17(5)25(29)20(27(24)32-23)11-8-16(3)4/h7-8,10,12-13,23,29-30H,9,11,14H2,1-6H3/t23? |
 |
| SMILES (mnx) | [CH3:1][C:15]([CH3:2])=[CH:7][CH2:9][C:18]1=[C:22]([O:31][CH3:6])[CH:12]=[CH:10][C:19]([CH:23]2[CH2:14][C:21](=[O:28])[C:24]3=[C:26]([OH:30])[C:17]([CH3:5])=[C:25]([OH:29])[C:20]([CH2:11][CH:8]=[C:16]([CH3:3])[CH3:4])=[C:27]3[O:32]2)=[CH:13]1 |
|