| Properties | Image |
|---|
| MNX_ID | MNXM166076 |
 |
| reference | biggM:CE2880 |
| formula | C21H20I2NO10 |
| global charge | -1 |
| mol weight | 700.196 |
| InChIKey | ADIQFGLSNXTCEF-QDVJOMROSA-M |
| InChI | InChI=1S/C21H21I2NO10/c22-10-5-8(6-12(24)19(28)29)1-3-13(10)32-9-2-4-14(11(23)7-9)33-21-17(27)15(25)16(26)18(34-21)20(30)31/h1-5,7,12,15-18,21,25-27H,6,24H2,(H,28,29)(H,30,31)/p-1/t12-,15+,16-,17+,18+,21?/m1/s1 |
| SMILES | N[C@H](CC1=CC(I)=C(OC2=CC=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/C21H21I2NO10/c22-10-5-8(6-12(24)19(28)29)1-3-13(10)32-9-2-4-14(11(23)7-9)33-21-17(27)15(25)16(26)18(34-21)20(30)31/h1-5,7,12,15-18,21,25-27H,6,24H2,(H,28,29)(H,30,31)/t12-,15+,16-,17+,18+,21?/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:13]([O:32][C:9]2=[CH:7][C:11]([I:23])=[C:14]([O:33][CH:21]3[C@@H:17]([OH:27])[C@@H:15]([OH:25])[C@@H:16]([OH:26])[C@@H:18]([C:20](=[O:30])[OH:31])[O:34]3)[CH:4]=[CH:2]2)=[C:10]([I:22])[CH:5]=[C:8]1[CH2:6][C@H:12]([C:19](=[O:28])[OH:29])[NH2:24] |
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