| Properties | Image |
|---|
| MNX_ID | MNXM1179214 |
 |
| reference | envipathM:...855b8c04287d |
| formula | C29H52NO13 |
| global charge | -1 |
| mol weight | 622.729 |
| InChIKey | JPOYAQYINFZERF-GMWAMHTESA-M |
| InChI | InChI=1S/C29H53NO13/c1-10-19(32)28(6,40)23(36)17(13-31)20(33)14(2)12-27(5,39)26(29(7,41)22(35)16(4)24(37)38)43-25-21(34)18(30(8)9)11-15(3)42-25/h14-19,21,23,25-26,31-32,34,36,39-41H,10-13H2,1-9H3,(H,37,38)/p-1/t14-,15-,16-,17+,18+,19-,21-,23-,25+,26+,27-,28-,29-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](CO)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@](C)(O)C(=O)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H53NO13/c1-10-19(32)28(6,40)23(36)17(13-31)20(33)14(2)12-27(5,39)26(29(7,41)22(35)16(4)24(37)38)43-25-21(34)18(30(8)9)11-15(3)42-25/h14-19,21,23,25-26,31-32,34,36,39-41H,10-13H2,1-9H3,(H,37,38)/t14-,15-,16-,17+,18+,19-,21-,23-,25+,26+,27-,28-,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:10][C@H:19]([C@:28]([CH3:6])([C@@H:23]([C@@H:17]([CH2:13][OH:31])[C:20]([C@H:14]([CH3:2])[CH2:12][C@:27]([CH3:5])([C@@H:26]([C@@:29]([CH3:7])([C:22]([C@@H:16]([CH3:4])[C:24](=[O:37])[OH:38])=[O:35])[OH:41])[O:43][C@H:25]1[C@H:21]([OH:34])[C@@H:18]([N:30]([CH3:8])[CH3:9])[CH2:11][C@@H:15]([CH3:3])[O:42]1)[OH:39])=[O:33])[OH:36])[OH:40])[OH:32] |
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