| Properties | Image |
|---|
| MNX_ID | MNXM88355 |
 |
| reference | keggC:C01687 |
| formula | C39H65NO14 |
| global charge | 0 |
| mol weight | 771.942 |
| InChIKey | QRPHLEPFYLNRDA-NLGRAQRVSA-N |
| InChI | InChI=1S/C39H65NO14/c1-11-29-26(19-50-39-37(49-10)36(48-9)33(46)24(6)52-39)16-20(2)12-13-27(42)21(3)17-25(14-15-41)35(22(4)28(43)18-30(44)53-29)54-38-34(47)31(40(7)8)32(45)23(5)51-38/h12-13,15-16,21-26,28-29,31-39,43,45-47H,11,14,17-19H2,1-10H3/b13-12+,20-16+/t21-,22+,23-,24-,25+,26-,28-,29-,31+,32-,33-,34-,35-,36-,37-,38+,39-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC |
MNX internals
| InChI (mnx) | InChI=1/C39H65NO14/c1-11-29-26(19-50-39-37(49-10)36(48-9)33(46)24(6)52-39)16-20(2)12-13-27(42)21(3)17-25(14-15-41)35(22(4)28(43)18-30(44)53-29)54-38-34(47)31(40(7)8)32(45)23(5)51-38/h12-13,15-16,21-26,28-29,31-39,43,45-47H,11,14,17-19H2,1-10H3/b13-12+,20-16+/t21-,22+,23-,24-,25+,26-,28-,29-,31+,32-,33-,34-,35-,36-,37-,38+,39-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:11][C@@H:29]1[C@@H:26]([CH2:19][O:50][C@H:39]2[C@H:37]([O:49][CH3:10])[C@H:36]([O:48][CH3:9])[C@H:33]([OH:46])[C@@H:24]([CH3:6])[O:52]2)/[CH:16]=[C:20]([CH3:2])/[CH:12]=[CH:13]/[C:27](=[O:42])[C@H:21]([CH3:3])[CH2:17][C@H:25]([CH2:14][CH:15]=[O:41])[C@H:35]([O:54][C@H:38]2[C@H:34]([OH:47])[C@@H:31]([N:40]([CH3:7])[CH3:8])[C@H:32]([OH:45])[C@@H:23]([CH3:5])[O:51]2)[C@@H:22]([CH3:4])[C@H:28]([OH:43])[CH2:18][C:30](=[O:44])[O:53]1 |
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