| Properties | Image |
|---|
| MNX_ID | MNXM7202 |
 |
| reference | chebi:31434 |
| formula | C43H49N3O18 |
| global charge | 0 |
| mol weight | 895.868 |
| InChIKey | MDWKFXALIRELND-UYUGCTTCSA-N |
| InChI | InChI=1S/C43H49N3O18/c1-15-20(36(53)45-24-26(47)18-10-12-21(16(2)32(18)61-38(24)55)59-40-30(51)28(49)34(57-8)42(4,5)63-40)14-44-23(15)37(54)46-25-27(48)19-11-13-22(17(3)33(19)62-39(25)56)60-41-31(52)29(50)35(58-9)43(6,7)64-41/h10-14,28-31,34-35,40-41,44,47-52H,1-9H3,(H,45,53)(H,46,54)/t28-,29-,30+,31+,34+,35+,40+,41+/m0/s1 |
| SMILES | CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](OC2=CC=C3C(O)=C(NC(=O)C4=CNC(C(=O)NC5=C(O)C6=CC=C(O[C@@H]7OC(C)(C)[C@H](OC)[C@@H](O)[C@H]7O)C(C)=C6OC5=O)=C4C)C(=O)OC3=C2C)OC1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C43H49N3O18/c1-15-20(36(53)45-24-26(47)18-10-12-21(16(2)32(18)61-38(24)55)59-40-30(51)28(49)34(57-8)42(4,5)63-40)14-44-23(15)37(54)46-25-27(48)19-11-13-22(17(3)33(19)62-39(25)56)60-41-31(52)29(50)35(58-9)43(6,7)64-41/h10-14,28-31,34-35,40-41,44,47-52H,1-9H3,(H,45,53)(H,46,54)/t28-,29-,30+,31+,34+,35+,40+,41+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15]1=[C:23]([C:37](=[N:46][C:25]2=[C:27]([OH:48])[C:19]3=[C:33]([C:17]([CH3:3])=[C:22]([O:60][C@H:41]4[C@H:31]([OH:52])[C@H:29]([OH:50])[C@@H:35]([O:58][CH3:9])[C:43]([CH3:6])([CH3:7])[O:64]4)[CH:13]=[CH:11]3)[O:62][C:39]2=[O:56])[OH:54])[NH:44][CH:14]=[C:20]1[C:36](=[N:45][C:24]1=[C:26]([OH:47])[C:18]2=[C:32]([C:16]([CH3:2])=[C:21]([O:59][C@H:40]3[C@H:30]([OH:51])[C@H:28]([OH:49])[C@@H:34]([O:57][CH3:8])[C:42]([CH3:4])([CH3:5])[O:63]3)[CH:12]=[CH:10]2)[O:61][C:38]1=[O:55])[OH:53] |
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