| Properties | Image |
|---|
| MNX_ID | MNXM1188135 |
 |
| reference | envipathM:...6ea0e0f4a5ac |
| formula | C29H54NO13 |
| global charge | -1 |
| mol weight | 624.745 |
| InChIKey | XZKIBFHKWBJQQU-IJENMMGYSA-M |
| InChI | InChI=1S/C29H55NO13/c1-13(21(34)28(7,40)26(38)29(8,41)22(35)17(5)31)12-27(6,39)23(15(3)19(32)16(4)24(36)37)43-25-20(33)18(30(9)10)11-14(2)42-25/h13-20,22-23,25-26,31-33,35,38-41H,11-12H2,1-10H3,(H,36,37)/p-1/t13-,14-,15+,16-,17?,18+,19+,20-,22-,23-,25+,26-,27-,28-,29-/m1/s1 |
| SMILES | CC(O)[C@@H](O)[C@@](C)(O)[C@H](O)[C@](C)(O)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](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H55NO13/c1-13(21(34)28(7,40)26(38)29(8,41)22(35)17(5)31)12-27(6,39)23(15(3)19(32)16(4)24(36)37)43-25-20(33)18(30(9)10)11-14(2)42-25/h13-20,22-23,25-26,31-33,35,38-41H,11-12H2,1-10H3,(H,36,37)/t13-,14-,15+,16-,17?,18+,19+,20-,22-,23-,25+,26-,27-,28-,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:13]([CH2:12][C@:27]([CH3:6])([C@@H:23]([C@@H:15]([CH3:3])[C@@H:19]([C@@H:16]([CH3:4])[C:24](=[O:36])[OH:37])[OH:32])[O:43][C@H:25]1[C@H:20]([OH:33])[C@@H:18]([N:30]([CH3:9])[CH3:10])[CH2:11][C@@H:14]([CH3:2])[O:42]1)[OH:39])[C:21]([C@:28]([CH3:7])([C@H:26]([C@@:29]([CH3:8])([C@@H:22]([CH:17]([CH3:5])[OH:31])[OH:35])[OH:41])[OH:38])[OH:40])=[O:34] |
|