| Properties | Image |
|---|
| MNX_ID | MNXM155781 |
 |
| reference | chebi:34742 |
| formula | C55H103NO15 |
| global charge | 0 |
| mol weight | 1018.421 |
| InChIKey | YAVZHCFFUATPRK-YZPBMOCRSA-N |
| InChI | InChI=1S/C37H67NO13.C18H36O2/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-17H2,1H3,(H,19,20)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO13.C18H36O2/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-17H2,1H3,(H,19,20)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@@H:25]1[C@@:37]([CH3:10])([OH:45])[C@H:30]([OH:41])[C@@H:20]([CH3:4])[C:27](=[O:39])[C@H:18]([CH3:2])[CH2:16][C@@:35]([CH3:8])([OH:44])[C@H:32]([O:51][C@H:34]2[C@H:28]([OH:40])[C@@H:24]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:19]([CH3:3])[O:47]2)[C@@H:21]([CH3:5])[C@H:29]([O:50][C@H:26]2[CH2:17][C@@:36]([CH3:9])([O:46][CH3:13])[C@@H:31]([OH:42])[C@H:23]([CH3:7])[O:48]2)[C@@H:22]([CH3:6])[C:33](=[O:43])[O:49]1.[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][C:69](=[O:70])[OH:71] |
|