| Properties | Image |
|---|
| MNX_ID | MNXM166075 |
 |
| reference | biggM:CE2886 |
| formula | C20H15I3O10 |
| global charge | -2 |
| mol weight | 796.042 |
| InChIKey | QSWZGMIVPNEVJK-RHMUGHDZSA-L |
| InChI | InChI=1S/C20H17I3O10/c21-9-3-7(4-13(24)25)1-2-12(9)31-8-5-10(22)17(11(23)6-8)32-20-16(28)14(26)15(27)18(33-20)19(29)30/h1-3,5-6,14-16,18,20,26-28H,4H2,(H,24,25)(H,29,30)/p-2/t14-,15+,16-,18-,20?/m1/s1 |
| SMILES | O=C([O-])CC1=CC(I)=C(OC2=CC(I)=C(OC3O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]3O)C(I)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H17I3O10/c21-9-3-7(4-13(24)25)1-2-12(9)31-8-5-10(22)17(11(23)6-8)32-20-16(28)14(26)15(27)18(33-20)19(29)30/h1-3,5-6,14-16,18,20,26-28H,4H2,(H,24,25)(H,29,30)/t14-,15+,16-,18-,20?/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:12]([O:31][C:8]2=[CH:5][C:10]([I:22])=[C:17]([O:32][CH:20]3[C@H:16]([OH:28])[C@H:14]([OH:26])[C@H:15]([OH:27])[C@H:18]([C:19](=[O:29])[OH:30])[O:33]3)[C:11]([I:23])=[CH:6]2)=[C:9]([I:21])[CH:3]=[C:7]1[CH2:4][C:13](=[O:24])[OH:25] |
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