| Properties | Image |
|---|
| MNX_ID | MNXM1055958 |
 |
| reference | slm:000748395 |
| formula | C59H108N2O23 |
| global charge | 0 |
| mol weight | 1213.504 |
| InChIKey | ZOQFEDNPKIZBEE-IQXQZCKWSA-N |
| InChI | InChI=1S/C59H108N2O23/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-28-38(67)37(61-43(68)29-26-23-20-17-14-15-18-21-24-27-35(2)3)34-77-57-50(74)48(72)53(41(32-64)80-57)82-58-51(75)49(73)54(42(33-65)81-58)83-59-52(76)55(46(70)40(31-63)79-59)84-56-44(60-36(4)66)47(71)45(69)39(30-62)78-56/h25,28,35,37-42,44-59,62-65,67,69-76H,5-24,26-27,29-34H2,1-4H3,(H,60,66)(H,61,68)/b28-25+/t37-,38+,39+,40+,41+,42+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57+,58-,59+/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C59H108N2O23/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-28-38(67)37(61-43(68)29-26-23-20-17-14-15-18-21-24-27-35(2)3)34-77-57-50(74)48(72)53(41(32-64)80-57)82-58-51(75)49(73)54(42(33-65)81-58)83-59-52(76)55(46(70)40(31-63)79-59)84-56-44(60-36(4)66)47(71)45(69)39(30-62)78-56/h25,28,35,37-42,44-59,62-65,67,69-76H,5-24,26-27,29-34H2,1-4H3,(H,60,66)(H,61,68)/b28-25+/t37-,38+,39+,40+,41+,42+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57+,58-,59+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]/[C@H:38]([C@H:37]([CH2:34][O:77][C@H:57]1[C@H:50]([OH:74])[C@@H:48]([OH:72])[C@H:53]([O:82][C@H:58]2[C@H:51]([OH:75])[C@@H:49]([OH:73])[C@@H:54]([O:83][C@@H:59]3[C@H:52]([OH:76])[C@@H:55]([O:84][C@H:56]4[C@H:44]([N:60]=[C:36]([CH3:4])[OH:66])[C@@H:47]([OH:71])[C@@H:45]([OH:69])[C@@H:39]([CH2:30][OH:62])[O:78]4)[C@@H:46]([OH:70])[C@@H:40]([CH2:31][OH:63])[O:79]3)[C@@H:42]([CH2:33][OH:65])[O:81]2)[C@@H:41]([CH2:32][OH:64])[O:80]1)[N:61]=[C:43]([CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][CH:35]([CH3:2])[CH3:3])[OH:68])[OH:67] |
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