| Properties | Image |
|---|
| MNX_ID | MNXM163681 |
 |
| reference | biggM:CE6444 |
| formula | C22H31O6 |
| global charge | -1 |
| mol weight | 391.484 |
| InChIKey | HFFDJQRQJYSADX-WUNASYCTSA-M |
| InChI | InChI=1S/C22H32O6/c1-2-3-4-5-6-7-8-9-10-11-18-19(21-16-20(18)27-28-21)14-12-17(26-25)13-15-22(23)24/h3-4,6-7,9-10,12,14,17-21,25H,2,5,8,11,13,15-16H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,10-9?,14-12?/t17?,18-,19-,20?,21?/m0/s1 |
| SMILES | CC/C=C\C/C=C\CC=CC[C@@H]1C2CC(OO2)[C@H]1C=CC(CCC(=O)[O-])OO |
MNX internals
| InChI (mnx) | InChI=1/C22H32O6/c1-2-3-4-5-6-7-8-9-10-11-18-19(21-16-20(18)27-28-21)14-12-17(26-25)13-15-22(23)24/h3-4,6-7,9-10,12,14,17-21,25H,2,5,8,11,13,15-16H2,1H3,(H,23,24)/b4-3-,7-6-,10-9?,14-12?/t17?,18-,19-,20?,21?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8][CH:9]=[CH:10][CH2:11][C@H:18]1[C@H:19]([CH:14]=[CH:12][CH:17]([CH2:13][CH2:15][C:22](=[O:23])[OH:24])[O:26][OH:25])[CH:21]2[CH2:16][CH:20]1[O:27][O:28]2 |
|