| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM1371659 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
| formula | C45H74O18 |
| charge | 0 |
| mass | 903.069 |
| reference | metacycM:CPD-15471 |
| InChIKey | BDBXJBSIFKKSTI-UHFFFAOYSA-N |
| InChI | InChI=1S/C45H74O18/c1-19(16-46)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)58-42-39(62-40-36(54)34(52)31(49)21(3)57-40)38(33(51)29(18-48)60-42)61-41-37(55)35(53)32(50)28(17-47)59-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3 |
| SMILES | [CH3:1][CH:19]([CH2:8][CH2:13][C:45]1([OH:56])[CH:20]([CH3:2])[CH:30]2[CH:27]([CH2:15][CH:26]3[CH:24]4[CH2:7][CH:6]=[C:22]5[CH2:14][CH:23]([O:58][CH:42]6[CH:39]([O:62][CH:40]7[CH:36]([OH:54])[CH:34]([OH:52])[CH:31]([OH:49])[CH:21]([CH3:3])[O:57]7)[CH:38]([O:61][CH:41]7[CH:37]([OH:55])[CH:35]([OH:53])[CH:32]([OH:50])[CH:28]([CH2:17][OH:47])[O:59]7)[CH:33]([OH:51])[CH:29]([CH2:18][OH:48])[O:60]6)[CH2:9][CH2:11][C:43]5([CH3:4])[CH:25]4[CH2:10][CH2:12][C:44]32[CH3:5])[O:63]1)[CH2:16][OH:46] |
|
