| Properties | Image |
|---|
| MNX_ID | MNXM1173326 |
 |
| reference | envipathM:...c9da20fc7e7b |
| formula | C35H58O16 |
| global charge | 0 |
| mol weight | 734.833 |
| InChIKey | IFWFKZPTXKEKQZ-XDEWYNMZSA-N |
| InChI | InChI=1S/C35H58O16/c1-10-23-35(8,45)28(41)20(14-36)25(39)16(2)12-33(6,44)30(51-32-26(40)21(38)11-17(3)47-32)18(4)27(19(5)31(43)49-23)50-24-13-34(7,46-9)29(42)22(15-37)48-24/h14,16-20,22-24,26-30,32,37,40-42,44-45H,10-13,15H2,1-9H3/t16-,17-,18+,19-,20+,22+,23-,24+,26-,27+,28-,29+,30-,32+,33-,34-,35-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](CO)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)CC(=O)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C=O)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C35H58O16/c1-10-23-35(8,45)28(41)20(14-36)25(39)16(2)12-33(6,44)30(51-32-26(40)21(38)11-17(3)47-32)18(4)27(19(5)31(43)49-23)50-24-13-34(7,46-9)29(42)22(15-37)48-24/h14,16-20,22-24,26-30,32,37,40-42,44-45H,10-13,15H2,1-9H3/t16-,17-,18+,19-,20+,22+,23-,24+,26-,27+,28-,29+,30-,32+,33-,34-,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:10][C@@H:23]1[C@@:35]([CH3:8])([OH:45])[C@H:28]([OH:41])[C@@H:20]([CH:14]=[O:36])[C:25](=[O:39])[C@H:16]([CH3:2])[CH2:12][C@@:33]([CH3:6])([OH:44])[C@H:30]([O:51][C@H:32]2[C@H:26]([OH:40])[C:21](=[O:38])[CH2:11][C@@H:17]([CH3:3])[O:47]2)[C@@H:18]([CH3:4])[C@H:27]([O:50][C@H:24]2[CH2:13][C@@:34]([CH3:7])([O:46][CH3:9])[C@@H:29]([OH:42])[C@H:22]([CH2:15][OH:37])[O:48]2)[C@@H:19]([CH3:5])[C:31](=[O:43])[O:49]1 |
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