| Properties | Image |
|---|
| MNX_ID | MNXM22177 |
 |
| reference | metacycM:CPD-11412 |
| formula | C20H16I3O10 |
| global charge | -1 |
| mol weight | 797.05 |
| InChIKey | FPEJNMNXCSITJO-KFYUBCHVSA-M |
| InChI | InChI=1S/C20H17I3O10/c21-9-6-8(1-2-12(9)24)31-17-10(22)3-7(4-11(17)23)5-13(25)32-20-16(28)14(26)15(27)18(33-20)19(29)30/h1-4,6,14-16,18,20,24,26-28H,5H2,(H,29,30)/p-1/t14-,15-,16+,18-,20+/m0/s1 |
| SMILES | O=C(CC1=CC(I)=C(OC2=CC(I)=C(O)C=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/C20H17I3O10/c21-9-6-8(1-2-12(9)24)31-17-10(22)3-7(4-11(17)23)5-13(25)32-20-16(28)14(26)15(27)18(33-20)19(29)30/h1-4,6,14-16,18,20,24,26-28H,5H2,(H,29,30)/t14-,15-,16+,18-,20+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:12]([OH:24])=[C:9]([I:21])[CH:6]=[C:8]1[O:31][C:17]1=[C:10]([I:22])[CH:3]=[C:7]([CH2:5][C:13](=[O:25])[O:32][C@H:20]2[C@H:16]([OH:28])[C@@H:14]([OH:26])[C@H:15]([OH:27])[C@@H:18]([C:19](=[O:29])[OH:30])[O:33]2)[CH:4]=[C:11]1[I:23] |
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