| Properties | Image |
|---|
| MNX_ID | MNXM107679 |
 |
| reference | chebi:67860 |
| formula | C61H106O24 |
| global charge | 0 |
| mol weight | 1223.495 |
| InChIKey | FOEGAVYCKSBQPD-MRVDFAPOSA-N |
| InChI | InChI=1S/C61H106O24/c1-10-13-15-16-18-22-27-31-40(63)80-55-54(85-57-46(69)44(67)41(64)33(5)73-57)50(83-58-48(71)51(43(66)35(7)74-58)81-56(72)32(4)12-3)37(9)77-61(55)82-49-36(8)76-60-53(47(49)70)79-39(62)30-26-23-20-17-19-21-25-29-38(28-24-14-11-2)78-59-52(84-60)45(68)42(65)34(6)75-59/h32-38,41-55,57-61,64-71H,10-31H2,1-9H3/t32-,33-,34+,35-,36-,37-,38-,41-,42-,43-,44+,45-,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,57-,58-,59-,60-,61-/m0/s1 |
| SMILES | CCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H]3OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@H]2C)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C61H106O24/c1-10-13-15-16-18-22-27-31-40(63)80-55-54(85-57-46(69)44(67)41(64)33(5)73-57)50(83-58-48(71)51(43(66)35(7)74-58)81-56(72)32(4)12-3)37(9)77-61(55)82-49-36(8)76-60-53(47(49)70)79-39(62)30-26-23-20-17-19-21-25-29-38(28-24-14-11-2)78-59-52(84-60)45(68)42(65)34(6)75-59/h32-38,41-55,57-61,64-71H,10-31H2,1-9H3/t32-,33-,34+,35-,36-,37-,38-,41-,42-,43-,44+,45-,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,57-,58-,59-,60-,61-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:10][CH2:13][CH2:15][CH2:16][CH2:18][CH2:22][CH2:27][CH2:31][C:40](=[O:63])[O:80][C@@H:55]1[C@H:54]([O:85][C@H:57]2[C@H:46]([OH:69])[C@H:44]([OH:67])[C@@H:41]([OH:64])[C@H:33]([CH3:5])[O:73]2)[C@@H:50]([O:83][C@H:58]2[C@H:48]([OH:71])[C@H:51]([O:81][C:56]([C@@H:32]([CH3:4])[CH2:12][CH3:3])=[O:72])[C@@H:43]([OH:66])[C@H:35]([CH3:7])[O:74]2)[C@H:37]([CH3:9])[O:77][C@H:61]1[O:82][C@H:49]1[C@H:36]([CH3:8])[O:76][C@@H:60]2[C@@H:53]([C@@H:47]1[OH:70])[O:79][C:39](=[O:62])[CH2:30][CH2:26][CH2:23][CH2:20][CH2:17][CH2:19][CH2:21][CH2:25][CH2:29][C@H:38]([CH2:28][CH2:24][CH2:14][CH2:11][CH3:2])[O:78][C@H:59]1[C@@H:52]([C@@H:45]([OH:68])[C@@H:42]([OH:65])[C@@H:34]([CH3:6])[O:75]1)[O:84]2 |
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