| Properties | Image |
|---|
| MNX_ID | MNXM165170 |
 |
| reference | metacycM:CPD-19399 |
| formula | C23H16O10 |
| global charge | 0 |
| mol weight | 452.371 |
| InChIKey | ZLROJYTUZWZWDD-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H16O10/c1-8-14-9(6-11(30-2)15(8)21(29)32-4)5-10-16(17(14)25)20(28)22-13(24)7-12(31-3)19(27)23(22,33-22)18(10)26/h5-7,25H,1-4H3 |
| SMILES | COC(=O)C1=C(C)C2=C(C=C1OC)C=C1C(=O)C34OC3(C(=O)C=C(OC)C4=O)C(=O)C1=C2O |
MNX internals
| InChI (mnx) | InChI=1/C23H16O10/c1-8-14-9(6-11(30-2)15(8)21(29)32-4)5-10-16(17(14)25)20(28)22-13(24)7-12(31-3)19(27)23(22,33-22)18(10)26/h5-7,25H,1-4H3/t22?,23? |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[C:15]([C:21](=[O:29])[O:32][CH3:4])[C:11]([O:30][CH3:2])=[CH:6][C:9]2=[CH:5][C:10]3=[C:16]([C:17]([OH:25])=[C:14]12)[C:20](=[O:28])[C:22]12[C:13](=[O:24])[CH:7]=[C:12]([O:31][CH3:3])[C:19](=[O:27])[C:23]1([C:18]3=[O:26])[O:33]2 |
|