| Properties | Image |
|---|
| MNX_ID | MNXM1176249 |
 |
| reference | envipathM:...38bc13c182ae |
| formula | C35H62O17 |
| global charge | -2 |
| mol weight | 754.864 |
| InChIKey | QEQNJHJXJBUBAP-GQJCSZLVSA-L |
| InChI | InChI=1S/C35H64O17/c1-12-22(36)35(10,47)27(40)18(4)25(39)16(2)14-33(8,46)29(52-32(31(44)45)49-17(3)13-23(37)38)19(5)26(20(6)30(42)43)51-24-15-34(9,48-11)28(41)21(7)50-24/h16-22,24,26-29,31-32,36,40-41,44-47H,12-15H2,1-11H3,(H,37,38)(H,42,43)/p-2/t16-,17-,18+,19+,20-,21+,22-,24+,26+,27-,28+,29-,32+,33-,34-,35-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@H](O[C@H](C)CC(=O)[O-])C(O)O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C35H64O17/c1-12-22(36)35(10,47)27(40)18(4)25(39)16(2)14-33(8,46)29(52-32(31(44)45)49-17(3)13-23(37)38)19(5)26(20(6)30(42)43)51-24-15-34(9,48-11)28(41)21(7)50-24/h16-22,24,26-29,31-32,36,40-41,44-47H,12-15H2,1-11H3,(H,37,38)(H,42,43)/t16-,17-,18+,19+,20-,21+,22-,24+,26+,27-,28+,29-,32+,33-,34-,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@H:22]([C@:35]([CH3:10])([C@@H:27]([C@@H:18]([CH3:4])[C:25]([C@H:16]([CH3:2])[CH2:14][C@:33]([CH3:8])([C@@H:29]([C@@H:19]([CH3:5])[C@@H:26]([C@@H:20]([CH3:6])[C:30](=[O:42])[OH:43])[O:51][C@H:24]1[CH2:15][C@@:34]([CH3:9])([O:48][CH3:11])[C@@H:28]([OH:41])[C@H:21]([CH3:7])[O:50]1)[O:52][C@@H:32]([CH:31]([OH:44])[OH:45])[O:49][C@H:17]([CH3:3])[CH2:13][C:23](=[O:37])[OH:38])[OH:46])=[O:39])[OH:40])[OH:47])[OH:36] |
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