| Properties | Image |
|---|
| MNX_ID | MNXM1177120 |
 |
| reference | envipathM:...3f77964689ac |
| formula | C29H52NO13 |
| global charge | -1 |
| mol weight | 622.729 |
| InChIKey | PICJGKJVDWKERQ-DVRSDAGKSA-M |
| InChI | InChI=1S/C29H53NO13/c1-11-18(31)27(6,39)21(34)14(3)19(32)15(4)22(35)28(7,40)24(16(5)23(36)29(8,41)26(37)38)43-25-20(33)17(30(9)10)12-13(2)42-25/h13-18,20-22,24-25,31,33-35,39-41H,11-12H2,1-10H3,(H,37,38)/p-1/t13-,14+,15+,16+,17+,18-,20-,21-,22?,24-,25+,27-,28-,29+/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C(O)[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(=O)[C@](C)(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H53NO13/c1-11-18(31)27(6,39)21(34)14(3)19(32)15(4)22(35)28(7,40)24(16(5)23(36)29(8,41)26(37)38)43-25-20(33)17(30(9)10)12-13(2)42-25/h13-18,20-22,24-25,31,33-35,39-41H,11-12H2,1-10H3,(H,37,38)/t13-,14+,15+,16+,17+,18-,20-,21-,22?,24-,25+,27-,28-,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:11][C@H:18]([C@:27]([CH3:6])([C@@H:21]([C@@H:14]([CH3:3])[C:19]([C@H:15]([CH3:4])[CH:22]([C@:28]([CH3:7])([C@@H:24]([C@@H:16]([CH3:5])[C:23]([C@@:29]([CH3:8])([C:26](=[O:37])[OH:38])[OH:41])=[O:36])[O:43][C@H:25]1[C@H:20]([OH:33])[C@@H:17]([N:30]([CH3:9])[CH3:10])[CH2:12][C@@H:13]([CH3:2])[O:42]1)[OH:40])[OH:35])=[O:32])[OH:34])[OH:39])[OH:31] |
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