| Properties | Image |
|---|
| MNX_ID | MNXM22026 |
 |
| reference | metacycM:CPD-11409 |
| formula | C20H14I4O10 |
| global charge | -2 |
| mol weight | 921.938 |
| InChIKey | GYORPZQLVMNOGY-RUPWJETCSA-L |
| InChI | InChI=1S/C20H16I4O10/c21-8-1-6(3-12(25)26)2-9(22)16(8)32-7-4-10(23)17(11(24)5-7)33-20-15(29)13(27)14(28)18(34-20)19(30)31/h1-2,4-5,13-15,18,20,27-29H,3H2,(H,25,26)(H,30,31)/p-2/t13-,14-,15+,18-,20+/m0/s1 |
| SMILES | O=C([O-])CC1=CC(I)=C(OC2=CC(I)=C(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)C(I)=C2)C(I)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H16I4O10/c21-8-1-6(3-12(25)26)2-9(22)16(8)32-7-4-10(23)17(11(24)5-7)33-20-15(29)13(27)14(28)18(34-20)19(30)31/h1-2,4-5,13-15,18,20,27-29H,3H2,(H,25,26)(H,30,31)/t13-,14-,15+,18-,20+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:6]([CH2:3][C:12](=[O:25])[OH:26])[CH:2]=[C:9]([I:22])[C:16]([O:32][C:7]2=[CH:4][C:10]([I:23])=[C:17]([O:33][C@H:20]3[C@H:15]([OH:29])[C@@H:13]([OH:27])[C@H:14]([OH:28])[C@@H:18]([C:19](=[O:30])[OH:31])[O:34]3)[C:11]([I:24])=[CH:5]2)=[C:8]1[I:21] |
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