| Properties | Image |
|---|
| MNX_ID | MNXM1191611 |
 |
| reference | envipathM:...38890205bb11 |
| formula | C36H64NO15 |
| global charge | -1 |
| mol weight | 750.9 |
| InChIKey | FKAQRGMIEVTFDX-UDHMYXRNSA-M |
| InChI | InChI=1S/C36H65NO15/c1-13-23(38)36(10,46)24(14-2)50-30(41)20(5)27(51-25-16-35(9,47-12)28(40)21(6)49-25)19(4)29(33(7,44)17-34(8,45)32(42)43)52-31-26(39)22(37-11)15-18(3)48-31/h18-22,24-29,31,37,39-40,44-46H,13-17H2,1-12H3,(H,42,43)/p-1/t18-,19+,20-,21+,22+,24-,25+,26-,27+,28+,29-,31+,33-,34+,35-,36+/m1/s1 |
| SMILES | CCC(=O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@H](C)[C@@H](O[C@@H]1O[C@H](C)C[C@H](NC)[C@H]1O)[C@](C)(O)C[C@](C)(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C36H65NO15/c1-13-23(38)36(10,46)24(14-2)50-30(41)20(5)27(51-25-16-35(9,47-12)28(40)21(6)49-25)19(4)29(33(7,44)17-34(8,45)32(42)43)52-31-26(39)22(37-11)15-18(3)48-31/h18-22,24-29,31,37,39-40,44-46H,13-17H2,1-12H3,(H,42,43)/t18-,19+,20-,21+,22+,24-,25+,26-,27+,28+,29-,31+,33-,34+,35-,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C:23]([C@@:36]([CH3:10])([C@@H:24]([CH2:14][CH3:2])[O:50][C:30]([C@H:20]([CH3:5])[C@H:27]([C@H:19]([CH3:4])[C@H:29]([C@@:33]([CH3:7])([CH2:17][C@@:34]([CH3:8])([C:32](=[O:42])[OH:43])[OH:45])[OH:44])[O:52][C@H:31]1[C@H:26]([OH:39])[C@@H:22]([NH:37][CH3:11])[CH2:15][C@@H:18]([CH3:3])[O:48]1)[O:51][C@H:25]1[CH2:16][C@@:35]([CH3:9])([O:47][CH3:12])[C@@H:28]([OH:40])[C@H:21]([CH3:6])[O:49]1)=[O:41])[OH:46])=[O:38] |
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