| Properties | Image |
|---|
| MNX_ID | MNXM738937 |
 |
| reference | chebi:80018 |
| formula | C37H61NO13 |
| global charge | 0 |
| mol weight | 727.889 |
| InChIKey | WWIDEZOUVSJVHS-LWQULZAOSA-N |
| InChI | InChI=1S/C37H61NO13/c1-11-27-37(43,18-46-36-33(45-10)32(44-9)29(41)23(6)48-36)34-26(49-34)14-13-25(39)20(3)16-21(4)31(19(2)12-15-28(40)50-27)51-35-30(42)24(38(7)8)17-22(5)47-35/h12-15,19-24,26-27,29-36,41-43H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24-,26+,27+,29+,30+,31+,32+,33+,34-,35-,36+,37-/m0/s1 |
| SMILES | CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]2O[C@@H]2[C@]1(O)CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC |
MNX internals
| InChI (mnx) | InChI=1/C37H61NO13/c1-11-27-37(43,18-46-36-33(45-10)32(44-9)29(41)23(6)48-36)34-26(49-34)14-13-25(39)20(3)16-21(4)31(19(2)12-15-28(40)50-27)51-35-30(42)24(38(7)8)17-22(5)47-35/h12-15,19-24,26-27,29-36,41-43H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24-,26+,27+,29+,30+,31+,32+,33+,34-,35-,36+,37-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:11][C@@H:27]1[C@:37]([CH2:18][O:46][C@H:36]2[C@H:33]([O:45][CH3:10])[C@H:32]([O:44][CH3:9])[C@H:29]([OH:41])[C@@H:23]([CH3:6])[O:48]2)([OH:43])[C@@H:34]2[C@@H:26](/[CH:14]=[CH:13]/[C:25](=[O:39])[C@H:20]([CH3:3])[CH2:16][C@H:21]([CH3:4])[C@H:31]([O:51][C@H:35]3[C@H:30]([OH:42])[C@@H:24]([N:38]([CH3:7])[CH3:8])[CH2:17][C@@H:22]([CH3:5])[O:47]3)[C@@H:19]([CH3:2])/[CH:12]=[CH:15]/[C:28](=[O:40])[O:50]1)[O:49]2 |
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