| Properties | Image |
|---|
| MNX_ID | MNXM129688 |
 |
| reference | hmdb:HMDB0029250 |
| formula | C25H19O8 |
| global charge | 1 |
| mol weight | 447.419 |
| InChIKey | PDRWPABNSNPHHW-UHFFFAOYSA-O |
| InChI | InChI=1S/C25H18O8/c1-30-20-7-13(8-21(31-2)24(20)29)25-23(28)16-11-17(12-3-5-14(26)6-4-12)32-18-9-15(27)10-19(33-25)22(16)18/h3-11H,1-2H3,(H3-,26,27,28,29)/p+1 |
| SMILES | COC1=CC(C2=C(O)C3=C4C(=CC(O)=CC4=[O+]2)OC(C2=CC=C(O)C=C2)=C3)=CC(OC)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C25H18O8/c1-30-20-7-13(8-21(31-2)24(20)29)25-23(28)16-11-17(12-3-5-14(26)6-4-12)32-18-9-15(27)10-19(33-25)22(16)18/h3-11H,1-2H3,(H3-,26,27,28,29) |
 |
| SMILES (mnx) | [CH3:1][O:30][C:20]1=[C:24]([O-:29])[C:21]([O:31][CH3:2])=[CH:8][C:13]([C:25]2=[C:23]([OH:28])[C:16]3=[CH:11][C:17]([C:12]4=[CH:4][CH:6]=[C:14]([OH:26])[CH:5]=[CH:3]4)=[O+:32][C:18]4=[C:22]3[C:19](=[CH:10][C:15]([OH:27])=[CH:9]4)[O:33]2)=[CH:7]1 |
|