| Properties | Image |
|---|
| MNX_ID | MNXM126065 |
 |
| reference | chebi:229129 |
| formula | C58H98O26 |
| global charge | 0 |
| mol weight | 1211.396 |
| InChIKey | KVMXBSSOCCPAOR-WWJNHZDPSA-N |
| InChI | InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-52-47(74)42(69)39(66)30(81-52)22-76-49-45(72)40(67)31(23-77-49)80-50-44(71)36(63)27(62)21-75-50)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)82-53-48(43(70)38(65)29(20-60)79-53)83-51-46(73)41(68)37(64)28(19-59)78-51/h10,25-53,59-74H,9,11-23H2,1-8H3/t25-,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-,52-,53-,55-,56+,57+,58-/m0/s1 |
| SMILES | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C58H98O26/c1-24(2)10-9-14-58(8,84-52-47(74)42(69)39(66)30(81-52)22-76-49-45(72)40(67)31(23-77-49)80-50-44(71)36(63)27(62)21-75-50)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)82-53-48(43(70)38(65)29(20-60)79-53)83-51-46(73)41(68)37(64)28(19-59)78-51/h10,25-53,59-74H,9,11-23H2,1-8H3/t25-,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-,52-,53-,55-,56+,57+,58-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24]([CH3:2])=[CH:10][CH2:9][CH2:14][C@@:58]([CH3:8])([C@H:25]1[CH2:11][CH2:16][C@:57]2([CH3:7])[C@@H:35]1[C@H:26]([OH:61])[CH2:18][C@@H:33]1[C@@:55]3([CH3:5])[CH2:15][CH2:13][C@H:34]([O:82][C@H:53]4[C@H:48]([O:83][C@H:51]5[C@H:46]([OH:73])[C@@H:41]([OH:68])[C@H:37]([OH:64])[C@@H:28]([CH2:19][OH:59])[O:78]5)[C@@H:43]([OH:70])[C@H:38]([OH:65])[C@@H:29]([CH2:20][OH:60])[O:79]4)[C:54]([CH3:3])([CH3:4])[C@@H:32]3[CH2:12][CH2:17][C@:56]12[CH3:6])[O:84][C@H:52]1[C@H:47]([OH:74])[C@@H:42]([OH:69])[C@H:39]([OH:66])[C@@H:30]([CH2:22][O:76][C@H:49]2[C@H:45]([OH:72])[C@@H:40]([OH:67])[C@@H:31]([O:80][C@H:50]3[C@H:44]([OH:71])[C@@H:36]([OH:63])[C@H:27]([OH:62])[CH2:21][O:75]3)[CH2:23][O:77]2)[O:81]1 |
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