| Properties | Image |
|---|
| MNX_ID | MNXM107329 |
 |
| reference | chebi:66641 |
| formula | C25H28O6 |
| global charge | 0 |
| mol weight | 424.493 |
| InChIKey | ILCMVLORKWIOOH-CEMXSPGASA-N |
| InChI | InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-17(9-10-19(27)25(18)30)22-13-21(29)24-20(28)11-16(26)12-23(24)31-22/h5,7,9-12,22,26-28,30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC1=C(O)C(O)=CC=C1[C@@H]1CC(=O)C2=C(C=C(O)C=C2O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-17(9-10-19(27)25(18)30)22-13-21(29)24-20(28)11-16(26)12-23(24)31-22/h5,7,9-12,22,26-28,30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]([CH3:2])=[CH:5][CH2:4][CH2:6]/[C:15]([CH3:3])=[CH:7]/[CH2:8][C:18]1=[C:17]([C@@H:22]2[CH2:13][C:21](=[O:29])[C:24]3=[C:20]([OH:28])[CH:11]=[C:16]([OH:26])[CH:12]=[C:23]3[O:31]2)[CH:9]=[CH:10][C:19]([OH:27])=[C:25]1[OH:30] |
|