| Properties | Image |
|---|
| MNX_ID | MNXM42688 |
 |
| reference | chebi:2850 |
| formula | C17H20O5 |
| global charge | 0 |
| mol weight | 304.342 |
| InChIKey | IJNUSISHBLGZMG-JMZZHWKLSA-N |
| InChI | InChI=1S/C17H20O5/c1-7-5-11(20-9(3)18)13-8(2)16(19)21-15(13)14-10(7)6-12-17(14,4)22-12/h11-15H,2,5-6H2,1,3-4H3/t11-,12+,13+,14-,15-,17+/m0/s1 |
| SMILES | C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)CC(C)=C1C[C@H]3O[C@@]3(C)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C17H20O5/c1-7-5-11(20-9(3)18)13-8(2)16(19)21-15(13)14-10(7)6-12-17(14,4)22-12/h11-15H,2,5-6H2,1,3-4H3/t11-,12+,13+,14-,15-,17+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[C:10]2[CH2:6][C@@H:12]3[C@:17]([CH3:4])([C@@H:14]2[C@@H:15]2[C@H:13]([C:8](=[CH2:2])[C:16](=[O:19])[O:21]2)[C@@H:11]([O:20][C:9]([CH3:3])=[O:18])[CH2:5]1)[O:22]3 |
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