| Properties | Image |
|---|
| MNX_ID | MNXM166037 |
 |
| reference | biggM:CE2888 |
| formula | C20H16I2O10 |
| global charge | -2 |
| mol weight | 670.146 |
| InChIKey | YOWDQHXNBULHCD-RHMUGHDZSA-L |
| InChI | InChI=1S/C20H18I2O10/c21-11-6-10(30-9-3-1-8(2-4-9)5-13(23)24)7-12(22)17(11)31-20-16(27)14(25)15(26)18(32-20)19(28)29/h1-4,6-7,14-16,18,20,25-27H,5H2,(H,23,24)(H,28,29)/p-2/t14-,15+,16-,18-,20?/m1/s1 |
| SMILES | O=C([O-])CC1=CC=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/C20H18I2O10/c21-11-6-10(30-9-3-1-8(2-4-9)5-13(23)24)7-12(22)17(11)31-20-16(27)14(25)15(26)18(32-20)19(28)29/h1-4,6-7,14-16,18,20,25-27H,5H2,(H,23,24)(H,28,29)/t14-,15+,16-,18-,20?/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([O:30][C:10]2=[CH:6][C:11]([I:21])=[C:17]([O:31][CH:20]3[C@H:16]([OH:27])[C@H:14]([OH:25])[C@H:15]([OH:26])[C@H:18]([C:19](=[O:28])[OH:29])[O:32]3)[C:12]([I:22])=[CH:7]2)=[CH:4][CH:2]=[C:8]1[CH2:5][C:13](=[O:23])[OH:24] |
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