| Properties | Image |
|---|
| MNX_ID | MNXM108973 |
 |
| reference | chebi:68900 |
| formula | C55H92O24 |
| global charge | 0 |
| mol weight | 1137.317 |
| InChIKey | HIABZTFVWGTGEJ-YOGLWGDYSA-N |
| InChI | InChI=1S/C55H92O24/c1-10-13-19-22-33-23-20-17-15-14-16-18-21-24-36(59)73-47-43(75-50(66)28(5)12-3)38(61)34(25-56)71-54(47)77-44-39(62)35(26-57)72-55(78-45-40(63)37(60)31(8)68-52(45)70-33)48(44)79-53-46(76-51(67)29(6)30(7)58)41(64)42(32(9)69-53)74-49(65)27(4)11-2/h11,28-35,37-48,52-58,60-64H,10,12-26H2,1-9H3/b27-11-/t28-,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-,41+,42-,43-,44-,45+,46+,47+,48+,52-,53-,54-,55-/m0/s1 |
| SMILES | C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@@H](OC(=O)[C@@H](C)[C@@H](C)O)[C@H](O[C@H]2[C@@H]3O[C@H]4[C@H](O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]5[C@H](O[C@H]2[C@H](O)[C@@H](CO)O3)O[C@H](CO)[C@@H](O)[C@@H]5OC(=O)[C@@H](C)CC)O[C@H](C)[C@@H](O)[C@@H]4O)O[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C55H92O24/c1-10-13-19-22-33-23-20-17-15-14-16-18-21-24-36(59)73-47-43(75-50(66)28(5)12-3)38(61)34(25-56)71-54(47)77-44-39(62)35(26-57)72-55(78-45-40(63)37(60)31(8)68-52(45)70-33)48(44)79-53-46(76-51(67)29(6)30(7)58)41(64)42(32(9)69-53)74-49(65)27(4)11-2/h11,28-35,37-48,52-58,60-64H,10,12-26H2,1-9H3/b27-11-/t28-,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-,41+,42-,43-,44-,45+,46+,47+,48+,52-,53-,54-,55-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:10][CH2:13][CH2:19][CH2:22][C@H:33]1[CH2:23][CH2:20][CH2:17][CH2:15][CH2:14][CH2:16][CH2:18][CH2:21][CH2:24][C:36](=[O:59])[O:73][C@@H:47]2[C@@H:43]([O:75][C:50]([C@@H:28]([CH3:5])[CH2:12][CH3:3])=[O:66])[C@H:38]([OH:61])[C@@H:34]([CH2:25][OH:56])[O:71][C@H:54]2[O:77][C@H:44]2[C@H:39]([OH:62])[C@@H:35]([CH2:26][OH:57])[O:72][C@H:55]([C@@H:48]2[O:79][C@H:53]2[C@H:46]([O:76][C:51]([C@@H:29]([CH3:6])[C@@H:30]([CH3:7])[OH:58])=[O:67])[C@H:41]([OH:64])[C@@H:42]([O:74][C:49](/[C:27]([CH3:4])=[CH:11]\[CH3:2])=[O:65])[C@H:32]([CH3:9])[O:69]2)[O:78][C@@H:45]2[C@@H:40]([OH:63])[C@H:37]([OH:60])[C@@H:31]([CH3:8])[O:68][C@H:52]2[O:70]1 |
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