| Properties | Image |
|---|
| MNX_ID | MNXM164210 |
 |
| reference | metacycM:CPD-18419 |
| formula | C17H22O7 |
| global charge | 0 |
| mol weight | 338.356 |
| InChIKey | ADFIQZBYNGPCGY-KLOHDQKESA-N |
| InChI | InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17?/m1/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@@]2(C)C3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@@]12CO |
MNX internals
| InChI (mnx) | InChI=1/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[CH:4][C@@H:11]2[C@:16]([CH2:6][OH:18])([C@H:13]([OH:21])[C:12]1=[O:20])[C@@:15]1([CH3:3])[CH2:5][C@@H:10]([O:23][C:9]([CH3:2])=[O:19])[C@H:14]([C:17]13[CH2:7][O:22]3)[O:24]2 |
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