| Properties | Image |
| MNX_ID | MNXM106674 |
 |
| reference | chebi:68285 |
| formula | C16H16O7 |
| global charge | 0 |
| mol weight | 320.297 |
| InChIKey | SIUXYUWNLUKHJD-FVQBIDKESA-N |
| InChI | InChI=1S/C16H16O7/c1-7-4-8(17)12-10(5-7)23-15(2)11(22-3)6-9(18)13(19)16(15,21)14(12)20/h4-6,13,17,19,21H,1-3H3/t13-,15-,16-/m1/s1 |
| SMILES | COC1=CC(=O)[C@@H](O)[C@@]2(O)C(=O)C3=C(O)C=C(C)C=C3O[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C16H16O7/c1-7-4-8(17)12-10(5-7)23-15(2)11(22-3)6-9(18)13(19)16(15,21)14(12)20/h4-6,13,17,19,21H,1-3H3/t13-,15-,16-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7]1=[CH:4][C:8]([OH:17])=[C:12]2[C:10](=[CH:5]1)[O:23][C@:15]1([CH3:2])[C:11]([O:22][CH3:3])=[CH:6][C:9](=[O:18])[C@@H:13]([OH:19])[C@@:16]1([OH:21])[C:14]2=[O:20] |
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