| Properties | Image |
|---|
| MNX_ID | MNXM1063052 |
 |
| reference | slm:000755688 |
| formula | C58H101NO18 |
| global charge | 0 |
| mol weight | 1100.435 |
| InChIKey | KTJDBCMBGMZCQP-UUCSPYBNSA-N |
| InChI | InChI=1S/C58H101NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(64)59-41(42(63)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-72-56-52(70)50(68)54(45(39-62)75-56)76-58-53(71)55(48(66)44(38-61)74-58)77-57-51(69)49(67)47(65)43(37-60)73-57/h11,13,17-18,20-21,24,26,30,32,41-45,47-58,60-63,65-71H,3-10,12,14-16,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,59,64)/b13-11-,18-17-,21-20-,26-24-,32-30-/t41-,42+,43+,44+,45+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57+,58-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H101NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(64)59-41(42(63)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-72-56-52(70)50(68)54(45(39-62)75-56)76-58-53(71)55(48(66)44(38-61)74-58)77-57-51(69)49(67)47(65)43(37-60)73-57/h11,13,17-18,20-21,24,26,30,32,41-45,47-58,60-63,65-71H,3-10,12,14-16,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,59,64)/b13-11-,18-17-,21-20-,26-24-,32-30-/t41-,42+,43+,44+,45+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57+,58-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34][CH2:36][C:46](=[N:59][C@@H:41]([CH2:40][O:72][C@H:56]1[C@H:52]([OH:70])[C@@H:50]([OH:68])[C@H:54]([O:76][C@H:58]2[C@H:53]([OH:71])[C@@H:55]([O:77][C@@H:57]3[C@H:51]([OH:69])[C@@H:49]([OH:67])[C@@H:47]([OH:65])[C@@H:43]([CH2:37][OH:60])[O:73]3)[C@@H:48]([OH:66])[C@@H:44]([CH2:38][OH:61])[O:74]2)[C@@H:45]([CH2:39][OH:62])[O:75]1)[C@@H:42]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:63])[OH:64] |
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