| Properties | Image |
|---|
| MNX_ID | MNXM1100746 |
 |
| reference | chebi:64257 |
| formula | C39H64N4O16 |
| global charge | 0 |
| mol weight | 844.953 |
| InChIKey | NKDRZEIENXWUCE-VDIUWDQWSA-N |
| InChI | InChI=1S/C39H64N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(2)45)31(51)30(50)24(20-44)57-37)19-22(46)35-33(53)34(54)36(58-35)43-18-17-26(48)42-39(43)55/h15-18,22-24,27-38,44,46,49-54H,3-14,19-20H2,1-2H3,(H,40,45)(H,41,47)(H,42,48,55)/b16-15+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/C(=O)N[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](C[C@@H](O)[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C39H64N4O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(2)45)31(51)30(50)24(20-44)57-37)19-22(46)35-33(53)34(54)36(58-35)43-18-17-26(48)42-39(43)55/h15-18,22-24,27-38,44,46,49-54H,3-14,19-20H2,1-2H3,(H,40,45)(H,41,47)(H,42,48,55)/b16-15+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]/[C:25](=[N:41]/[C@@H:28]1[C@@H:32]([OH:52])[C@@H:29]([OH:49])[C@@H:23]([CH2:19][C@H:22]([C@@H:35]2[C@@H:33]([OH:53])[C@@H:34]([OH:54])[C@H:36]([N:43]3[CH:18]=[CH:17][C:26]([OH:48])=[N:42][C:39]3=[O:55])[O:58]2)[OH:46])[O:56][C@H:38]1[O:59][C@@H:37]1[C@H:27]([N:40]=[C:21]([CH3:2])[OH:45])[C@@H:31]([OH:51])[C@H:30]([OH:50])[C@@H:24]([CH2:20][OH:44])[O:57]1)[OH:47] |
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