| Properties | Image |
MNX_ID | MNXM53976 |
 |
reference | lipidmapsM:LMPK12140207 |
formula | C25H26O4 |
global charge | 0 |
mol weight | 390.479 |
InChIKey | YXRQIKPQCNDPMB-UHFFFAOYSA-N |
InChI | InChI=1S/C25H26O4/c1-15(2)10-11-17-22(27)21-19(26)14-20(16-8-6-5-7-9-16)28-24(21)18-12-13-25(3,4)29-23(17)18/h5-10,12-13,20,27H,11,14H2,1-4H3 |
SMILES | CC(C)=CCC1=C2OC(C)(C)C=CC2=C2OC(C3=CC=CC=C3)CC(=O)C2=C1O |
MNX internals
InChI (mnx) | InChI=1/C25H26O4/c1-15(2)10-11-17-22(27)21-19(26)14-20(16-8-6-5-7-9-16)28-24(21)18-12-13-25(3,4)29-23(17)18/h5-10,12-13,20,27H,11,14H2,1-4H3/t20? |
 |
SMILES (mnx) | [CH3:1][C:15]([CH3:2])=[CH:10][CH2:11][C:17]1=[C:22]([OH:27])[C:21]2=[C:24]([C:18]3=[C:23]1[O:29][C:25]([CH3:3])([CH3:4])[CH:13]=[CH:12]3)[O:28][CH:20]([C:16]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)[CH2:14][C:19]2=[O:26] |
|