| Properties | Image |
|---|
| MNX_ID | MNXM47566 |
 |
| reference | chebi:3850 |
| formula | C15H18O5 |
| global charge | 0 |
| mol weight | 278.304 |
| InChIKey | FMMLMVQJDDLENY-IUYSZMJMSA-N |
| InChI | InChI=1S/C15H18O5/c1-7-9-4-3-8-6-19-11-5-10(16)14(2,15(8,11)18)12(9)20-13(7)17/h8-9,11-12,18H,1,3-6H2,2H3/t8-,9+,11-,12-,14+,15+/m1/s1 |
| SMILES | C=C1C(=O)O[C@@H]2[C@H]1CC[C@@H]1CO[C@@H]3CC(=O)[C@]2(C)[C@]13O |
MNX internals
| InChI (mnx) | InChI=1/C15H18O5/c1-7-9-4-3-8-6-19-11-5-10(16)14(2,15(8,11)18)12(9)20-13(7)17/h8-9,11-12,18H,1,3-6H2,2H3/t8-,9+,11-,12-,14+,15+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:7]1[C@@H:9]2[CH2:4][CH2:3][C@@H:8]3[CH2:6][O:19][C@@H:11]4[CH2:5][C:10](=[O:16])[C@@:14]([CH3:2])([C@@H:12]2[O:20][C:13]1=[O:17])[C@:15]34[OH:18] |
|