| Properties | Image |
|---|
| MNX_ID | MNXM106662 |
 |
| reference | chebi:66379 |
| formula | C22H30O6 |
| global charge | 0 |
| mol weight | 390.476 |
| InChIKey | DNLZLOKORIRWAI-HSRCVKCWSA-N |
| InChI | InChI=1S/C22H30O6/c1-12-7-6-8-13(2)11-16(24)18-14(3)21(25)27-19(18)20-22(5,28-20)17(10-9-12)26-15(4)23/h8-9,16-20,24H,3,6-7,10-11H2,1-2,4-5H3/b12-9+,13-8+/t16-,17-,18-,19+,20+,22+/m1/s1 |
| SMILES | C=C1C(=O)O[C@H]2[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/C[C@@H](OC(C)=O)[C@]1(C)O[C@@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C22H30O6/c1-12-7-6-8-13(2)11-16(24)18-14(3)21(25)27-19(18)20-22(5,28-20)17(10-9-12)26-15(4)23/h8-9,16-20,24H,3,6-7,10-11H2,1-2,4-5H3/b12-9+,13-8+/t16-,17-,18-,19+,20+,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:12]1=[CH:9]\[CH2:10][C@@H:17]([O:26][C:15]([CH3:4])=[O:23])[C@@:22]2([CH3:5])[C@H:20]([C@@H:19]3[C@H:18]([C:14](=[CH2:3])[C:21](=[O:25])[O:27]3)[C@H:16]([OH:24])[CH2:11]/[C:13]([CH3:2])=[CH:8]/[CH2:6][CH2:7]1)[O:28]2 |
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