| Properties | Image |
|---|
| MNX_ID | MNXM1192858 |
 |
| reference | envipathM:...9ee3b249c1e1 |
| formula | C37H62NO14 |
| global charge | -1 |
| mol weight | 744.896 |
| InChIKey | ODUYHDYNVQLDFI-BOKIMVJFSA-M |
| InChI | InChI=1S/C37H63NO14/c1-14-25(39)37(10,47)30(42)20(4)27(40)18(2)16-35(8,46)32(52-34-28(41)24(38(11)12)15-19(3)49-34)21(5)29(22(6)33(44)45)51-26-17-36(9,48-13)31(43)23(7)50-26/h18-24,26,29-30,32,34,42,46-47H,14-17H2,1-13H3,(H,44,45)/p-1/t18-,19-,20+,21+,22-,23+,24+,26+,29+,30-,32-,34+,35-,36-,37-/m1/s1 |
| SMILES | CCC(=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)C1=O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)C(=O)[C@H](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H63NO14/c1-14-25(39)37(10,47)30(42)20(4)27(40)18(2)16-35(8,46)32(52-34-28(41)24(38(11)12)15-19(3)49-34)21(5)29(22(6)33(44)45)51-26-17-36(9,48-13)31(43)23(7)50-26/h18-24,26,29-30,32,34,42,46-47H,14-17H2,1-13H3,(H,44,45)/t18-,19-,20+,21+,22-,23+,24+,26+,29+,30-,32-,34+,35-,36-,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:14][C:25]([C@:37]([CH3:10])([C@@H:30]([C@@H:20]([CH3:4])[C:27]([C@H:18]([CH3:2])[CH2:16][C@:35]([CH3:8])([C@@H:32]([C@@H:21]([CH3:5])[C@@H:29]([C@@H:22]([CH3:6])[C:33](=[O:44])[OH:45])[O:51][C@H:26]1[CH2:17][C@@:36]([CH3:9])([O:48][CH3:13])[C:31](=[O:43])[C@H:23]([CH3:7])[O:50]1)[O:52][C@H:34]1[C:28](=[O:41])[C@@H:24]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:19]([CH3:3])[O:49]1)[OH:46])=[O:40])[OH:42])[OH:47])=[O:39] |
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