| Properties | Image |
|---|
| MNX_ID | MNXM163648 |
 |
| reference | biggM:CE6450 |
| formula | C22H31O6 |
| global charge | -1 |
| mol weight | 391.484 |
| InChIKey | XSYYKXJCJWVDMD-DRUKYYDMSA-M |
| InChI | InChI=1S/C22H32O6/c1-2-3-8-11-17(26-25)14-15-19-18(20-16-21(19)28-27-20)12-9-6-4-5-7-10-13-22(23)24/h3,5-9,14-15,17-21,25H,2,4,10-13,16H2,1H3,(H,23,24)/p-1/b7-5-,8-3-,9-6?,15-14+/t17?,18-,19-,20?,21?/m1/s1 |
| SMILES | CC/C=C\CC(/C=C/[C@H]1C2CC(OO2)[C@@H]1CC=CC/C=C\CCC(=O)[O-])OO |
MNX internals
| InChI (mnx) | InChI=1/C22H32O6/c1-2-3-8-11-17(26-25)14-15-19-18(20-16-21(19)28-27-20)12-9-6-4-5-7-10-13-22(23)24/h3,5-9,14-15,17-21,25H,2,4,10-13,16H2,1H3,(H,23,24)/b7-5-,8-3-,9-6?,15-14+/t17?,18-,19-,20?,21?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:8]\[CH2:11][CH:17](/[CH:14]=[CH:15]/[C@@H:19]1[C@@H:18]([CH2:12][CH:9]=[CH:6][CH2:4]/[CH:5]=[CH:7]\[CH2:10][CH2:13][C:22](=[O:23])[OH:24])[CH:20]2[CH2:16][CH:21]1[O:28][O:27]2)[O:26][OH:25] |
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