| Properties | Image |
|---|
| MNX_ID | MNXM1138109 |
 |
| reference | envipathM:...06f89498e878 |
| formula | C27H24O9 |
| global charge | 0 |
| mol weight | 492.48 |
| InChIKey | ZFXCTZCAXANHNB-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H24O9/c1-16-10-20(35-26(29)17-2-5-19(6-3-17)31-12-21-13-32-21)7-9-24(16)36-27(30)18-4-8-25(23(28)11-18)34-15-22-14-33-22/h2-11,21-22,28H,12-15H2,1H3 |
| SMILES | CC1=CC(OC(=O)C2=CC=C(OCC3CO3)C=C2)=CC=C1OC(=O)C1=CC=C(OCC2CO2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H24O9/c1-16-10-20(35-26(29)17-2-5-19(6-3-17)31-12-21-13-32-21)7-9-24(16)36-27(30)18-4-8-25(23(28)11-18)34-15-22-14-33-22/h2-11,21-22,28H,12-15H2,1H3/t21?,22? |
 |
| SMILES (mnx) | [CH3:1][C:16]1=[C:24]([O:36][C:27]([C:18]2=[CH:11][C:23]([OH:28])=[C:25]([O:34][CH2:15][CH:22]3[CH2:14][O:33]3)[CH:8]=[CH:4]2)=[O:30])[CH:9]=[CH:7][C:20]([O:35][C:26]([C:17]2=[CH:3][CH:6]=[C:19]([O:31][CH2:12][CH:21]3[CH2:13][O:32]3)[CH:5]=[CH:2]2)=[O:29])=[CH:10]1 |
|