| Properties | Image |
|---|
| MNX_ID | MNXM18962 |
 |
| reference | metacycM:CPD-11401 |
| formula | C21H18I4NO10 |
| global charge | -1 |
| mol weight | 951.988 |
| InChIKey | HMTFXPJOBPIOIN-DKBYMCRTSA-M |
| InChI | InChI=1S/C21H19I4NO10/c22-8-4-7(5-9(23)13(8)27)34-17-10(24)1-6(2-11(17)25)3-12(26)20(33)36-21-16(30)14(28)15(29)18(35-21)19(31)32/h1-2,4-5,12,14-16,18,21,27-30H,3,26H2,(H,31,32)/p-1/t12-,14-,15-,16+,18-,21-/m0/s1 |
| SMILES | N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H19I4NO10/c22-8-4-7(5-9(23)13(8)27)34-17-10(24)1-6(2-11(17)25)3-12(26)20(33)36-21-16(30)14(28)15(29)18(35-21)19(31)32/h1-2,4-5,12,14-16,18,21,27-30H,3,26H2,(H,31,32)/t12-,14-,15-,16+,18-,21-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:6]([CH2:3][C@@H:12]([C:20](=[O:33])[O:36][C@H:21]2[C@H:16]([OH:30])[C@@H:14]([OH:28])[C@H:15]([OH:29])[C@@H:18]([C:19](=[O:31])[OH:32])[O:35]2)[NH2:26])[CH:2]=[C:11]([I:25])[C:17]([O:34][C:7]2=[CH:4][C:8]([I:22])=[C:13]([OH:27])[C:9]([I:23])=[CH:5]2)=[C:10]1[I:24] |
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