| Properties | Image |
|---|
| MNX_ID | MNXM163637 |
 |
| reference | biggM:CE6446 |
| formula | C22H31O6 |
| global charge | -1 |
| mol weight | 391.484 |
| InChIKey | KTZHAQYYTVLGSR-QBHLSTTDSA-M |
| InChI | InChI=1S/C22H32O6/c1-2-3-4-5-6-7-8-9-10-11-17(26-25)12-13-18-19(14-15-22(23)24)21-16-20(18)27-28-21/h3-4,6-7,9-10,12-13,17-21,25H,2,5,8,11,14-16H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,10-9-,13-12+/t17?,18-,19+,20?,21?/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CC(/C=C/[C@H]1C2CC(OO2)[C@H]1CCC(=O)[O-])OO |
MNX internals
| InChI (mnx) | InChI=1/C22H32O6/c1-2-3-4-5-6-7-8-9-10-11-17(26-25)12-13-18-19(14-15-22(23)24)21-16-20(18)27-28-21/h3-4,6-7,9-10,12-13,17-21,25H,2,5,8,11,14-16H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12+/t17?,18-,19+,20?,21?/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH:17](/[CH:12]=[CH:13]/[C@@H:18]1[C@H:19]([CH2:14][CH2:15][C:22](=[O:23])[OH:24])[CH:21]2[CH2:16][CH:20]1[O:27][O:28]2)[O:26][OH:25] |
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