| Properties | Image |
|---|
| MNX_ID | MNXM1411954 |
 |
| reference | chebi:232053 |
| formula | C54H92O24 |
| global charge | 0 |
| mol weight | 1125.306 |
| InChIKey | VFENQOPEVKELGJ-UYQGGQRHSA-N |
| InChI | InChI=1S/C54H92O24/c1-22(9-13-33(51(4,5)70)77-47-43(68)40(65)37(62)29(75-47)21-71-46-42(67)38(63)34(59)26(18-55)72-46)23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-49-45(41(66)36(61)28(20-57)74-49)78-48-44(69)39(64)35(60)27(19-56)73-48/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,52+,53-,54+/m1/s1 |
| SMILES | C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C54H92O24/c1-22(9-13-33(51(4,5)70)77-47-43(68)40(65)37(62)29(75-47)21-71-46-42(67)38(63)34(59)26(18-55)72-46)23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-49-45(41(66)36(61)28(20-57)74-49)78-48-44(69)39(64)35(60)27(19-56)73-48/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,52+,53-,54+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:22]1[C@@:18]2([CH3:30])[C@H:17]([C@:15]3([CH3:26])[C@@:16]([CH3:27])([C@@H:19]([C@H:28]([CH2:36][CH2:40][C@H:41]([CH2:3][C@H:50]4[CH2:8][C@H:54]([O:56][CH2:14][O@:62]5[O:57][O:65]([O:67][OH:61])[O@:66]([OH:60])[O@@:64]([OH:59])[O@:63]5[OH:58])[O:55]([CH3:13])[CH:53]([CH3:12])[C@H:51]4[CH3:10])[C:43]([CH3:5])([CH3:46])[CH3:47])[CH3:37])[CH2:24][CH2:21]3)[CH2:20]1)[CH2:25][CH:32]=[C:29]1[C@@H:23]2[CH2:31][CH2:34][C@H:35]([CH2:2][C@@H:42]2[CH2:4][C@@H:48]([CH2:52][CH3:11])[C@@H:49]([CH3:9])[C@H:45]([CH3:7])[C@@H:44]2[CH2:6][O@:73]2[O:68][O@@:76]([O:78][OH:72])[O@:77]([OH:71])[O@@:75]([OH:70])[O@@:74]2[OH:69])[C:33]1([CH3:38])[CH3:39] |
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