| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1376430 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 10 |
in models (compartimentalized) |
0 |
|
formula | C27H35N2O9 |
charge | 1 |
mass | 531.582 |
reference | seedM:cpd02193 |
InChIKey | XBAMJZTXGWPTRM-AWTFMMIESA-O |
InChI | InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/p+1/t13-,16+,19+,20+,22+,23-,24+,26+,27-/m1/s1 |
SMILES | [CH2:1]=[CH:3][C@@H:13]1[C@H:16]([CH2:10][C@H:19]2[c:21]3[c:15]([c:14]4[cH:6][cH:4][cH:5][cH:7][c:18]4[nH:29]3)[CH2:8][CH2:9][NH:28]2)[C:17]([C:25](=[O:34])[O:35][CH3:2])=[CH:12][O:36][C@H:26]1[O:38][C@@H:27]1[C@@H:24]([OH:33])[C@H:23]([OH:32])[C@@H:22]([OH:31])[C@H:20]([CH2:11][OH:30])[O:37]1 |
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