| Properties | Image |
|---|
| MNX_ID | MNXM101030 |
 |
| reference | chebi:67413 |
| formula | C28H38O13 |
| global charge | 0 |
| mol weight | 582.599 |
| InChIKey | PQQRNPDHSJDAGV-OMSDARFTSA-N |
| InChI | InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15+,19-,20+,23-,25+,26-,28-/m1/s1 |
| SMILES | COC1=CC([C@@H]2C3=C(OC)C(O)=C(OC)C=C3C[C@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15+,19-,20+,23-,25+,26-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:36][C:16]1=[C:22]([OH:31])[C:17]([O:37][CH3:2])=[CH:8][C:13]([C@H:20]2[C@@H:15]([CH2:11][O:40][C@H:28]3[C@H:26]([OH:35])[C@@H:25]([OH:34])[C@H:23]([OH:32])[C@@H:19]([CH2:10][OH:30])[O:41]3)[C@@H:14]([CH2:9][OH:29])[CH2:5][C:12]3=[C:21]2[C:27]([O:39][CH3:4])=[C:24]([OH:33])[C:18]([O:38][CH3:3])=[CH:6]3)=[CH:7]1 |
|