| Properties | Image |
|---|
| MNX_ID | MNXM60211 |
 |
| reference | chebi:6489 |
| formula | C17H22O5 |
| global charge | 0 |
| mol weight | 306.358 |
| InChIKey | ODYJJNFWFYUXSS-CTSUEIOESA-N |
| InChI | InChI=1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-13(10(2)16(19)21-14)12(8-9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6+/t12-,13-,14+,15?,17-/m1/s1 |
| SMILES | C=C1C(=O)O[C@@H]2C3O[C@]3(C)CC/C=C(\C)C[C@@H](OC(C)=O)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-13(10(2)16(19)21-14)12(8-9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6+/t12-,13-,14+,15?,17-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:9]1=[CH:6]\[CH2:5][CH2:7][C@:17]2([CH3:4])[CH:15]([C@@H:14]3[C@H:13]([C:10](=[CH2:2])[C:16](=[O:19])[O:21]3)[C@H:12]([O:20][C:11]([CH3:3])=[O:18])[CH2:8]1)[O:22]2 |
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