| Properties | Image |
|---|
| MNX_ID | MNXM163645 |
 |
| reference | biggM:CE6449 |
| formula | C22H31O6 |
| global charge | -1 |
| mol weight | 391.484 |
| InChIKey | MEVBPAJZOYZPMH-PXFASYKZSA-M |
| InChI | InChI=1S/C22H32O6/c1-2-18-19(21-16-20(18)27-28-21)15-14-17(26-25)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 | CC[C@H]1C2CC(OO2)[C@H]1C=C[C@H](C/C=C\C/C=C\C/C=C\CCC(=O)[O-])OO |
MNX internals
| InChI (mnx) | InChI=1/C22H32O6/c1-2-18-19(21-16-20(18)27-28-21)15-14-17(26-25)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][C@@H:18]1[C@H:19]([CH:15]=[CH:14][C@H:17]([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])[O:26][OH:25])[CH:21]2[CH2:16][CH:20]1[O:27][O:28]2 |
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