| Properties | Image |
|---|
| MNX_ID | MNXM28799 |
 |
| reference | lipidmapsM:LMST01080082 |
| formula | C51H82O23 |
| global charge | 0 |
| mol weight | 1063.194 |
| InChIKey | YKABWKAMEISWAE-ZIKHVRGWSA-N |
| InChI | InChI=1S/C51H82O23/c1-19-8-11-51(65-18-19)20(2)32-27(74-51)13-26-24-7-6-22-12-23(9-10-49(22,4)25(24)14-31(55)50(26,32)5)67-46-40(63)38(61)42(30(17-54)70-46)71-48-44(37(60)34(57)28(15-52)69-48)73-47-41(64)43(35(58)29(16-53)68-47)72-45-39(62)36(59)33(56)21(3)66-45/h19-30,32-48,52-54,56-64H,6-18H2,1-5H3/t19-,20+,21+,22+,23+,24-,25+,26+,27+,28-,29-,30-,32+,33+,34-,35-,36-,37+,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,48+,49+,50-,51-/m1/s1 |
| SMILES | C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C51H82O23/c1-19-8-11-51(65-18-19)20(2)32-27(74-51)13-26-24-7-6-22-12-23(9-10-49(22,4)25(24)14-31(55)50(26,32)5)67-46-40(63)38(61)42(30(17-54)70-46)71-48-44(37(60)34(57)28(15-52)69-48)73-47-41(64)43(35(58)29(16-53)68-47)72-45-39(62)36(59)33(56)21(3)66-45/h19-30,32-48,52-54,56-64H,6-18H2,1-5H3/t19-,20+,21+,22+,23+,24-,25+,26+,27+,28-,29-,30-,32+,33+,34-,35-,36-,37+,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,48+,49+,50-,51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:19]1[CH2:8][CH2:11][C@@:51]2([C@@H:20]([CH3:2])[C@H:32]3[C@H:27]([CH2:13][C@H:26]4[C@@H:24]5[CH2:7][CH2:6][C@H:22]6[CH2:12][C@@H:23]([O:67][C@H:46]7[C@H:40]([OH:63])[C@@H:38]([OH:61])[C@@H:42]([O:71][C@H:48]8[C@H:44]([O:73][C@H:47]9[C@H:41]([OH:64])[C@@H:43]([O:72][C@H:45]%10[C@H:39]([OH:62])[C@H:36]([OH:59])[C@@H:33]([OH:56])[C@H:21]([CH3:3])[O:66]%10)[C@H:35]([OH:58])[C@@H:29]([CH2:16][OH:53])[O:68]9)[C@@H:37]([OH:60])[C@H:34]([OH:57])[C@@H:28]([CH2:15][OH:52])[O:69]8)[C@@H:30]([CH2:17][OH:54])[O:70]7)[CH2:9][CH2:10][C@:49]6([CH3:4])[C@H:25]5[CH2:14][C:31](=[O:55])[C@@:50]43[CH3:5])[O:74]2)[O:65][CH2:18]1 |
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