| Properties | Image |
|---|
| MNX_ID | MNXM104959 |
 |
| reference | chebi:68182 |
| formula | C36H47NO11 |
| global charge | 0 |
| mol weight | 669.768 |
| InChIKey | XYOKQSPGNNDHGL-SDIFRHJLSA-N |
| InChI | InChI=1S/C36H47NO11/c1-19(2)33(42)46-27-16-28(47-34(43)26-12-11-15-37-18-26)35(9,10)14-13-20(3)32(41)36(48-25(8)40)17-21(4)30(44-23(6)38)29(36)31(22(27)5)45-24(7)39/h11-15,18-21,27-31H,5,16-17H2,1-4,6-10H3/b14-13+/t20-,21+,27-,28-,29-,30+,31+,36-/m1/s1 |
| SMILES | C=C1[C@H](OC(=O)C(C)C)C[C@@H](OC(=O)C2=CC=CN=C2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C36H47NO11/c1-19(2)33(42)46-27-16-28(47-34(43)26-12-11-15-37-18-26)35(9,10)14-13-20(3)32(41)36(48-25(8)40)17-21(4)30(44-23(6)38)29(36)31(22(27)5)45-24(7)39/h11-15,18-21,27-31H,5,16-17H2,1-4,6-10H3/b14-13+/t20-,21+,27-,28-,29-,30+,31+,36-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[C:33](=[O:42])[O:46][C@@H:27]1[CH2:16][C@@H:28]([O:47][C:34]([C:26]2=[CH:18][N:37]=[CH:15][CH:11]=[CH:12]2)=[O:43])[C:35]([CH3:9])([CH3:10])/[CH:14]=[CH:13]/[C@@H:20]([CH3:3])[C:32](=[O:41])[C@@:36]2([O:48][C:25]([CH3:8])=[O:40])[CH2:17][C@H:21]([CH3:4])[C@H:30]([O:44][C:23]([CH3:6])=[O:38])[C@@H:29]2[C@@H:31]([O:45][C:24]([CH3:7])=[O:39])[C:22]1=[CH2:5] |
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