| Properties | Image |
|---|
| MNX_ID | MNXM1190486 |
 |
| reference | envipathM:...276ff77fed06 |
| formula | C37H64NO15 |
| global charge | -1 |
| mol weight | 762.911 |
| InChIKey | BXYRQTWELZVWTN-AQMTVKMXSA-M |
| InChI | InChI=1S/C37H65NO15/c1-13-25(40)37(9,48)30(43)20(4)27(41)18(2)15-35(7,47)32(53-34-28(42)24(38(10)11)14-19(3)50-34)21(5)29(23(17-39)33(45)46)52-26-16-36(8,49-12)31(44)22(6)51-26/h18-24,26,28-30,32,34,39,42-43,47-48H,13-17H2,1-12H3,(H,45,46)/p-1/t18-,19-,20+,21+,22+,23-,24+,26+,28-,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)[C@H]1O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)C(=O)[C@H](C)O1)[C@@H](CO)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO15/c1-13-25(40)37(9,48)30(43)20(4)27(41)18(2)15-35(7,47)32(53-34-28(42)24(38(10)11)14-19(3)50-34)21(5)29(23(17-39)33(45)46)52-26-16-36(8,49-12)31(44)22(6)51-26/h18-24,26,28-30,32,34,39,42-43,47-48H,13-17H2,1-12H3,(H,45,46)/t18-,19-,20+,21+,22+,23-,24+,26+,28-,29+,30-,32-,34+,35-,36-,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:13][C:25]([C@:37]([CH3:9])([C@@H:30]([C@@H:20]([CH3:4])[C:27]([C@H:18]([CH3:2])[CH2:15][C@:35]([CH3:7])([C@@H:32]([C@@H:21]([CH3:5])[C@@H:29]([C@@H:23]([CH2:17][OH:39])[C:33](=[O:45])[OH:46])[O:52][C@H:26]1[CH2:16][C@@:36]([CH3:8])([O:49][CH3:12])[C:31](=[O:44])[C@H:22]([CH3:6])[O:51]1)[O:53][C@H:34]1[C@H:28]([OH:42])[C@@H:24]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:19]([CH3:3])[O:50]1)[OH:47])=[O:41])[OH:43])[OH:48])=[O:40] |
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