| Properties | Image |
|---|
| MNX_ID | MNXM100919 |
 |
| reference | chebi:70488 |
| formula | C22H18O9 |
| global charge | 0 |
| mol weight | 426.377 |
| InChIKey | UABDDHIGAKYFRK-ONTRVFCTSA-N |
| InChI | InChI=1S/C22H18O9/c1-11(23)31-21(13-3-5-16-18(7-13)30-10-28-16)19-14(8-26-22(19)25)20(24)12-2-4-15-17(6-12)29-9-27-15/h2-7,14,19,21H,8-10H2,1H3/t14-,19-,21+/m0/s1 |
| SMILES | CC(=O)O[C@H](C1=CC=C2OCOC2=C1)[C@H]1C(=O)OC[C@@H]1C(=O)C1=CC=C2OCOC2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H18O9/c1-11(23)31-21(13-3-5-16-18(7-13)30-10-28-16)19-14(8-26-22(19)25)20(24)12-2-4-15-17(6-12)29-9-27-15/h2-7,14,19,21H,8-10H2,1H3/t14-,19-,21+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11](=[O:23])[O:31][C@H:21]([C:13]1=[CH:7][C:18]2=[C:16]([CH:5]=[CH:3]1)[O:28][CH2:10][O:30]2)[C@@H:19]1[C@@H:14]([C:20]([C:12]2=[CH:6][C:17]3=[C:15]([CH:4]=[CH:2]2)[O:27][CH2:9][O:29]3)=[O:24])[CH2:8][O:26][C:22]1=[O:25] |
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