| Properties | Image |
|---|
| MNX_ID | MNXM129701 |
 |
| reference | hmdb:HMDB0029251 |
| formula | C25H19O9 |
| global charge | 1 |
| mol weight | 463.418 |
| InChIKey | WFTCHKAQOPLTQR-UHFFFAOYSA-O |
| InChI | InChI=1S/C25H18O9/c1-31-20-6-12(7-21(32-2)24(20)30)25-23(29)14-10-17(11-3-4-15(27)16(28)5-11)33-18-8-13(26)9-19(34-25)22(14)18/h3-10H,1-2H3,(H4-,26,27,28,29,30)/p+1 |
| SMILES | COC1=CC(C2=C(O)C3=C4C(=CC(O)=CC4=[O+]2)OC(C2=CC=C(O)C(O)=C2)=C3)=CC(OC)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C25H18O9/c1-31-20-6-12(7-21(32-2)24(20)30)25-23(29)14-10-17(11-3-4-15(27)16(28)5-11)33-18-8-13(26)9-19(34-25)22(14)18/h3-10H,1-2H3,(H4-,26,27,28,29,30) |
 |
| SMILES (mnx) | [CH3:1][O:31][C:20]1=[C:24]([O-:30])[C:21]([O:32][CH3:2])=[CH:7][C:12]([C:25]2=[C:23]([OH:29])[C:14]3=[CH:10][C:17]([C:11]4=[CH:5][C:16]([OH:28])=[C:15]([OH:27])[CH:4]=[CH:3]4)=[O+:33][C:18]4=[C:22]3[C:19](=[CH:9][C:13]([OH:26])=[CH:8]4)[O:34]2)=[CH:6]1 |
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