| Properties | Image |
|---|
| MNX_ID | MNXM164295 |
 |
| reference | metacycM:CPD-19400 |
| formula | C23H18O11 |
| global charge | 0 |
| mol weight | 470.386 |
| InChIKey | VZEZVFWCUKQYDT-DHIUTWEWSA-N |
| InChI | InChI=1S/C23H18O11/c1-8-14-9(6-11(32-2)15(8)21(29)34-4)5-10-16(17(14)25)20(28)22(30)13(24)7-12(33-3)19(27)23(22,31)18(10)26/h5-7,25,30-31H,1-4H3/t22-,23-/m1/s1 |
| SMILES | COC(=O)C1=C(C)C2=C(C=C1OC)C=C1C(=O)[C@@]3(O)C(=O)C(OC)=CC(=O)[C@@]3(O)C(=O)C1=C2O |
MNX internals
| InChI (mnx) | InChI=1/C23H18O11/c1-8-14-9(6-11(32-2)15(8)21(29)34-4)5-10-16(17(14)25)20(28)22(30)13(24)7-12(33-3)19(27)23(22,31)18(10)26/h5-7,25,30-31H,1-4H3/t22-,23-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[C:15]([C:21](=[O:29])[O:34][CH3:4])[C:11]([O:32][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]1([OH:30])[C:13](=[O:24])[CH:7]=[C:12]([O:33][CH3:3])[C:19](=[O:27])[C@:23]1([OH:31])[C:18]3=[O:26] |
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