| Properties | Image |
|---|
| MNX_ID | MNXM50790 |
 |
| reference | chebi:4574 |
| formula | C15H16O6 |
| global charge | 0 |
| mol weight | 292.287 |
| InChIKey | UOQXZMNXWXQCJU-XMOWUHPBSA-N |
| InChI | InChI=1S/C15H16O6/c1-5-9-7-3-6(14(17)18-7)10-11(20-10)12-15(2,21-12)4-8(9)19-13(5)16/h3,5,7-12H,4H2,1-2H3/t5-,7-,8+,9+,10-,11-,12+,15+/m1/s1 |
| SMILES | C[C@H]1C(=O)O[C@H]2C[C@]3(C)O[C@H]3[C@@H]3O[C@@H]3C3=C[C@@H](OC3=O)[C@@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C15H16O6/c1-5-9-7-3-6(14(17)18-7)10-11(20-10)12-15(2,21-12)4-8(9)19-13(5)16/h3,5,7-12H,4H2,1-2H3/t5-,7-,8+,9+,10-,11-,12+,15+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:5]1[C@H:9]2[C@H:7]3[CH:3]=[C:6]([C@@H:10]4[C@H:11]([C@H:12]5[C@:15]([CH3:2])([CH2:4][C@@H:8]2[O:19][C:13]1=[O:16])[O:21]5)[O:20]4)[C:14](=[O:17])[O:18]3 |
|