| Properties | Image |
|---|
| MNX_ID | MNXM166073 |
 |
| reference | biggM:CE2878 |
| formula | C21H19I3NO10 |
| global charge | -1 |
| mol weight | 826.092 |
| InChIKey | JEHVAYWAGFSNHA-UKJVJLCYSA-M |
| InChI | InChI=1S/C21H20I3NO10/c22-9-3-7(4-12(25)19(29)30)1-2-13(9)33-8-5-10(23)17(11(24)6-8)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-3,5-6,12,14-16,18,21,26-28H,4,25H2,(H,29,30)(H,31,32)/p-1/t12-,14+,15-,16+,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=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C21H20I3NO10/c22-9-3-7(4-12(25)19(29)30)1-2-13(9)33-8-5-10(23)17(11(24)6-8)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-3,5-6,12,14-16,18,21,26-28H,4,25H2,(H,29,30)(H,31,32)/t12-,14+,15-,16+,18+,21?/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:13]([O:33][C:8]2=[CH:5][C:10]([I:23])=[C:17]([O:34][CH:21]3[C@@H:16]([OH:28])[C@@H:14]([OH:26])[C@@H:15]([OH:27])[C@@H:18]([C:20](=[O:31])[OH:32])[O:35]3)[C:11]([I:24])=[CH:6]2)=[C:9]([I:22])[CH:3]=[C:7]1[CH2:4][C@H:12]([C:19](=[O:29])[OH:30])[NH2:25] |
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