| Properties | Image |
|---|
| MNX_ID | MNXM163661 |
 |
| reference | biggM:CE6451 |
| formula | C22H31O6 |
| global charge | -1 |
| mol weight | 391.484 |
| InChIKey | YPAIJQRSSHCPIA-YPLHIKBESA-M |
| InChI | InChI=1S/C22H32O6/c1-2-17(26-25)14-15-19-18(20-16-21(19)28-27-20)12-10-8-6-4-3-5-7-9-11-13-22(23)24/h3-4,7-10,14-15,17-21,25H,2,5-6,11-13,16H2,1H3,(H,23,24)/p-1/b4-3-,9-7-,10-8-,15-14+/t17?,18-,19+,20?,21?/m0/s1 |
| SMILES | CCC(/C=C/[C@H]1C2CC(OO2)[C@H]1C/C=C\C/C=C\C/C=C\CCC(=O)[O-])OO |
MNX internals
| InChI (mnx) | InChI=1/C22H32O6/c1-2-17(26-25)14-15-19-18(20-16-21(19)28-27-20)12-10-8-6-4-3-5-7-9-11-13-22(23)24/h3-4,7-10,14-15,17-21,25H,2,5-6,11-13,16H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,15-14+/t17?,18-,19+,20?,21?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH:17](/[CH:14]=[CH:15]/[C@@H:19]1[C@H:18]([CH2:12]/[CH:10]=[CH:8]\[CH2:6]/[CH:4]=[CH:3]\[CH2:5]/[CH:7]=[CH:9]\[CH2:11][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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