| Properties | Image |
|---|
| MNX_ID | MNXM22025 |
 |
| reference | metacycM:CPD-11411 |
| formula | C20H15I4O10 |
| global charge | -1 |
| mol weight | 922.946 |
| InChIKey | XZMJVZBEXSKSSM-KFYUBCHVSA-M |
| InChI | InChI=1S/C20H16I4O10/c21-8-4-7(5-9(22)13(8)26)32-17-10(23)1-6(2-11(17)24)3-12(25)33-20-16(29)14(27)15(28)18(34-20)19(30)31/h1-2,4-5,14-16,18,20,26-29H,3H2,(H,30,31)/p-1/t14-,15-,16+,18-,20+/m0/s1 |
| SMILES | O=C(CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H16I4O10/c21-8-4-7(5-9(22)13(8)26)32-17-10(23)1-6(2-11(17)24)3-12(25)33-20-16(29)14(27)15(28)18(34-20)19(30)31/h1-2,4-5,14-16,18,20,26-29H,3H2,(H,30,31)/t14-,15-,16+,18-,20+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:6]([CH2:3][C:12](=[O:25])[O:33][C@H:20]2[C@H:16]([OH:29])[C@@H:14]([OH:27])[C@H:15]([OH:28])[C@@H:18]([C:19](=[O:30])[OH:31])[O:34]2)[CH:2]=[C:11]([I:24])[C:17]([O:32][C:7]2=[CH:4][C:8]([I:21])=[C:13]([OH:26])[C:9]([I:22])=[CH:5]2)=[C:10]1[I:23] |
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