| Properties | Image |
|---|
| MNX_ID | MNXM524069 |
 |
| reference | slm:000485855 |
| formula | C59H99N2O16 |
| global charge | -1 |
| mol weight | 1092.439 |
| InChIKey | HEYDMKNAZXSOGI-QGXGHWBESA-M |
| InChI | InChI=1S/C59H100N2O16/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-50(68)61-45(46(65)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)43-74-57-54(71)56(53(70)49(42-63)75-57)77-59(58(72)73)40-47(66)51(60-44(3)64)55(76-59)52(69)48(67)41-62/h12,14,18-19,21-22,24-25,29,31,36,38,45-49,51-57,62-63,65-67,69-71H,4-11,13,15-17,20,23,26-28,30,32-35,37,39-43H2,1-3H3,(H,60,64)(H,61,68)(H,72,73)/p-1/b14-12-,19-18-,22-21-,25-24-,31-29-,38-36+/t45-,46+,47-,48+,49+,51+,52+,53-,54+,55+,56-,57+,59-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H100N2O16/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-50(68)61-45(46(65)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)43-74-57-54(71)56(53(70)49(42-63)75-57)77-59(58(72)73)40-47(66)51(60-44(3)64)55(76-59)52(69)48(67)41-62/h12,14,18-19,21-22,24-25,29,31,36,38,45-49,51-57,62-63,65-67,69-71H,4-11,13,15-17,20,23,26-28,30,32-35,37,39-43H2,1-3H3,(H,60,64)(H,61,68)(H,72,73)/b14-12-,19-18-,22-21-,25-24-,31-29-,38-36+/t45-,46+,47-,48+,49+,51+,52+,53-,54+,55+,56-,57+,59-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][C:50](=[N:61][C@@H:45]([CH2:43][O:74][C@H:57]1[C@H:54]([OH:71])[C@@H:56]([O:77][C@:59]2([C:58](=[O:72])[OH:73])[CH2:40][C@H:47]([OH:66])[C@@H:51]([N:60]=[C:44]([CH3:3])[OH:64])[C@H:55]([C@@H:52]([C@@H:48]([CH2:41][OH:62])[OH:67])[OH:69])[O:76]2)[C@@H:53]([OH:70])[C@@H:49]([CH2:42][OH:63])[O:75]1)[C@@H:46](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:65])[OH:68] |
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