| Properties | Image |
|---|
| MNX_ID | MNXM166090 |
 |
| reference | biggM:CE2877 |
| formula | C21H18I4NO10 |
| global charge | -1 |
| mol weight | 951.988 |
| InChIKey | RGHRJBIKIYUHEV-PWZDMWIRSA-M |
| InChI | InChI=1S/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)/p-1/t12-,13+,14-,15+,18+,21?/m1/s1 |
| SMILES | N[C@H](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(I)=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)/t12-,13+,14-,15+,18+,21?/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:6]([CH2:3][C@H:12]([C:19](=[O:30])[OH:31])[NH2:26])[CH:2]=[C:9]([I:23])[C:16]([O:34][C:7]2=[CH:4][C:10]([I:24])=[C:17]([O:35][CH:21]3[C@@H:15]([OH:29])[C@@H:13]([OH:27])[C@@H:14]([OH:28])[C@@H:18]([C:20](=[O:32])[OH:33])[O:36]3)[C:11]([I:25])=[CH:5]2)=[C:8]1[I:22] |
|