| Properties | Image |
|---|
| MNX_ID | MNXM164284 |
 |
| reference | metacycM:CPD-18426 |
| formula | C17H22O8 |
| global charge | 0 |
| mol weight | 354.355 |
| InChIKey | XGCUCFKWVIWWNW-IZEYKREJSA-N |
| InChI | InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17?/m1/s1 |
| SMILES | CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)C21CO1 |
MNX internals
| InChI (mnx) | InChI=1/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[CH:4][C@@H:9]2[C@:16]([CH2:5][OH:18])([C@H:12]([OH:22])[C:10]1=[O:20])[C@@:15]1([CH3:3])[C@H:13]([O:24][C:8]([CH3:2])=[O:19])[C@@H:11]([OH:21])[C@H:14]([C:17]13[CH2:6][O:23]3)[O:25]2 |
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