| Properties | Image |
|---|
| MNX_ID | MNXM1173480 |
 |
| reference | envipathM:...0828488fb792 |
| formula | C37H66NO15 |
| global charge | -1 |
| mol weight | 764.927 |
| InChIKey | CEFMMHXWPTWNSN-ZJLCAUBHSA-M |
| InChI | InChI=1S/C37H67NO15/c1-14-24(39)36(9,47)28(42)20(4)26(40)18(2)16-34(7,46)30(53-32-27(41)23(38(11)12)15-19(3)50-32)21(5)31(37(10,48)33(44)45)52-25-17-35(8,49-13)29(43)22(6)51-25/h18-25,27-28,30-32,39,41-42,46-48H,14-17H2,1-13H3,(H,44,45)/p-1/t18-,19-,20+,21-,22+,23+,24-,25+,27-,28-,30-,31+,32+,34-,35-,36-,37+/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)C(=O)[C@H](C)O1)[C@](C)(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO15/c1-14-24(39)36(9,47)28(42)20(4)26(40)18(2)16-34(7,46)30(53-32-27(41)23(38(11)12)15-19(3)50-32)21(5)31(37(10,48)33(44)45)52-25-17-35(8,49-13)29(43)22(6)51-25/h18-25,27-28,30-32,39,41-42,46-48H,14-17H2,1-13H3,(H,44,45)/t18-,19-,20+,21-,22+,23+,24-,25+,27-,28-,30-,31+,32+,34-,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@H:24]([C@:36]([CH3:9])([C@@H:28]([C@@H:20]([CH3:4])[C:26]([C@H:18]([CH3:2])[CH2:16][C@:34]([CH3:7])([C@@H:30]([C@@H:21]([CH3:5])[C@@H:31]([C@@:37]([CH3:10])([C:33](=[O:44])[OH:45])[OH:48])[O:52][C@H:25]1[CH2:17][C@@:35]([CH3:8])([O:49][CH3:13])[C:29](=[O:43])[C@H:22]([CH3:6])[O:51]1)[O:53][C@H:32]1[C@H:27]([OH:41])[C@@H:23]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:19]([CH3:3])[O:50]1)[OH:46])=[O:40])[OH:42])[OH:47])[OH:39] |
|