| Properties | Image |
|---|
| MNX_ID | MNXM52944 |
 |
| reference | chebi:4926 |
| formula | C17H22O5 |
| global charge | 0 |
| mol weight | 306.358 |
| InChIKey | UYVDDCCDZKMLBM-IGERJXIRSA-N |
| InChI | InChI=1S/C17H22O5/c1-9-5-6-14(21-12(4)18)10(2)8-15-16(13(19)7-9)11(3)17(20)22-15/h5,8,13-16,19H,3,6-7H2,1-2,4H3/b9-5+,10-8-/t13-,14-,15-,16-/m1/s1 |
| SMILES | C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)C/C=C(\C)C[C@@H](O)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C17H22O5/c1-9-5-6-14(21-12(4)18)10(2)8-15-16(13(19)7-9)11(3)17(20)22-15/h5,8,13-16,19H,3,6-7H2,1-2,4H3/b9-5+,10-8-/t13-,14-,15-,16-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:9]1=[CH:5]\[CH2:6][C@@H:14]([O:21][C:12]([CH3:4])=[O:18])/[C:10]([CH3:2])=[CH:8]\[C@@H:15]2[C@H:16]([C:11](=[CH2:3])[C:17](=[O:20])[O:22]2)[C@H:13]([OH:19])[CH2:7]1 |
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