| Properties | Image |
|---|
| MNX_ID | MNXM1108433 |
 |
| reference | chebi:9718 |
| formula | C51H84O22 |
| global charge | 0 |
| mol weight | 1049.211 |
| InChIKey | LVTJOONKWUXEFR-YFQJTNJMSA-N |
| InChI | InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,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-,50-,51+/m0/s1 |
| SMILES | C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,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-,50-,51+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:20]([CH2:9][CH2:14][C@:51]1([OH:64])[C@@H:21]([CH3:2])[C@H:32]2[C@H:29]([CH2:16][C@H:28]3[C@@H:26]4[CH2:8][CH:7]=[C:24]5[CH2:15][C@@H:25]([O:68][C@H:48]6[C@H:44]([O:72][C@H:47]7[C@H:41]([OH:62])[C@H:37]([OH:58])[C@@H:34]([OH:55])[C@H:23]([CH3:4])[O:67]7)[C@@H:42]([OH:63])[C@H:43]([O:71][C@H:46]7[C@H:40]([OH:61])[C@H:36]([OH:57])[C@@H:33]([OH:54])[C@H:22]([CH3:3])[O:66]7)[C@@H:31]([CH2:18][OH:53])[O:70]6)[CH2:10][CH2:12][C@:49]5([CH3:5])[C@H:27]4[CH2:11][CH2:13][C@@:50]32[CH3:6])[O:73]1)[CH2:19][O:65][C@H:45]1[C@H:39]([OH:60])[C@@H:38]([OH:59])[C@H:35]([OH:56])[C@@H:30]([CH2:17][OH:52])[O:69]1 |
|