| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM8469 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 6 |
| in models (compartimentalized) |
0 |
|
| formula | C39H50O21 |
| charge | 0 |
| mass | 854.808 |
| reference | metacycM:CPD-6625 |
| InChIKey | ONUWIQDGPDCVOI-BZECDXOCSA-N |
| InChI | InChI=1S/C39H50O21/c1-53-23-11-17(5-9-21(23)56-38-35(51)32(48)29(45)26(15-41)59-38)3-7-19(42)13-20(43)8-4-18-6-10-22(24(12-18)54-2)57-39-36(52)33(49)30(46)27(60-39)16-55-37-34(50)31(47)28(44)25(14-40)58-37/h3-13,25-42,44-52H,14-16H2,1-2H3/b7-3+,8-4+,19-13- |
| SMILES | [CH3:1][O:53][c:23]1[cH:11][c:17](/[CH:3]=[CH:7]/[C:19](=[CH:13]/[C:20](/[CH:8]=[CH:4]/[c:18]2[cH:6][cH:10][c:22]([O:57][CH:39]3[CH:36]([OH:52])[CH:33]([OH:49])[CH:30]([OH:46])[CH:27]([CH2:16][O:55][CH:37]4[CH:34]([OH:50])[CH:31]([OH:47])[CH:28]([OH:44])[CH:25]([CH2:14][OH:40])[O:58]4)[O:60]3)[c:24]([O:54][CH3:2])[cH:12]2)=[O:43])[OH:42])[cH:5][cH:9][c:21]1[O:56][CH:38]1[CH:35]([OH:51])[CH:32]([OH:48])[CH:29]([OH:45])[CH:26]([CH2:15][OH:41])[O:59]1 |
|
