| Properties | Image |
|---|
| MNX_ID | MNXM1181976 |
 |
| reference | envipathM:...59b6fec30a3c |
| formula | C37H64NO15 |
| global charge | -1 |
| mol weight | 762.911 |
| InChIKey | MFGMTZOVILTLMR-JTOOHKNMSA-M |
| InChI | InChI=1S/C37H65NO15/c1-14-24(39)36(9,47)28(42)20(4)26(40)18(2)16-34(7,46)33(53-32-27(41)23(38(11)12)15-19(3)50-32)37(10,48)30(21(5)31(44)45)52-25-17-35(8,49-13)29(43)22(6)51-25/h18-23,25,28-30,32-33,42-43,46-48H,14-17H2,1-13H3,(H,44,45)/p-1/t18-,19-,20+,21-,22+,23+,25+,28-,29+,30-,32+,33+,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@](C)(O)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO15/c1-14-24(39)36(9,47)28(42)20(4)26(40)18(2)16-34(7,46)33(53-32-27(41)23(38(11)12)15-19(3)50-32)37(10,48)30(21(5)31(44)45)52-25-17-35(8,49-13)29(43)22(6)51-25/h18-23,25,28-30,32-33,42-43,46-48H,14-17H2,1-13H3,(H,44,45)/t18-,19-,20+,21-,22+,23+,25+,28-,29+,30-,32+,33+,34-,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C: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:33]([C@@:37]([CH3:10])([C@@H:30]([C@@H:21]([CH3:5])[C:31](=[O:44])[OH:45])[O:52][C@H:25]1[CH2:17][C@@:35]([CH3:8])([O:49][CH3:13])[C@@H:29]([OH:43])[C@H:22]([CH3:6])[O:51]1)[OH:48])[O:53][C@H:32]1[C:27](=[O: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])=[O:39] |
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