| Properties | Image |
|---|
| MNX_ID | MNXM523122 |
 |
| reference | slm:000487064 |
| formula | C66H113N3O29 |
| global charge | -2 |
| mol weight | 1412.622 |
| InChIKey | NIKSEBJKJZANNR-WOQZZXGVSA-L |
| InChI | InChI=1S/C66H115N3O29/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-41(76)40(69-48(80)30-28-26-24-22-19-16-14-12-10-8-6-2)37-91-61-55(85)54(84)57(47(36-73)93-61)94-62-56(86)60(52(82)45(34-71)92-62)98-66(64(89)90)32-43(78)50(68-39(4)75)59(97-66)53(83)46(35-72)95-65(63(87)88)31-42(77)49(67-38(3)74)58(96-65)51(81)44(79)33-70/h12,14,27,29,40-47,49-62,70-73,76-79,81-86H,5-11,13,15-26,28,30-37H2,1-4H3,(H,67,74)(H,68,75)(H,69,80)(H,87,88)(H,89,90)/p-2/b14-12-,29-27+/t40-,41+,42-,43-,44+,45+,46+,47+,49+,50+,51+,52-,53+,54+,55+,56+,57+,58+,59+,60-,61+,62-,65+,66-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=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@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H115N3O29/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-41(76)40(69-48(80)30-28-26-24-22-19-16-14-12-10-8-6-2)37-91-61-55(85)54(84)57(47(36-73)93-61)94-62-56(86)60(52(82)45(34-71)92-62)98-66(64(89)90)32-43(78)50(68-39(4)75)59(97-66)53(83)46(35-72)95-65(63(87)88)31-42(77)49(67-38(3)74)58(96-65)51(81)44(79)33-70/h12,14,27,29,40-47,49-62,70-73,76-79,81-86H,5-11,13,15-26,28,30-37H2,1-4H3,(H,67,74)(H,68,75)(H,69,80)(H,87,88)(H,89,90)/b14-12-,29-27+/t40-,41+,42-,43-,44+,45+,46+,47+,49+,50+,51+,52-,53+,54+,55+,56+,57+,58+,59+,60-,61+,62-,65+,66-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25]/[CH:27]=[CH:29]/[C@H:41]([C@H:40]([CH2:37][O:91][C@H:61]1[C@H:55]([OH:85])[C@@H:54]([OH:84])[C@H:57]([O:94][C@H:62]2[C@H:56]([OH:86])[C@@H:60]([O:98][C@:66]3([C:64](=[O:89])[OH:90])[CH2:32][C@H:43]([OH:78])[C@@H:50]([N:68]=[C:39]([CH3:4])[OH:75])[C@H:59]([C@@H:53]([C@@H:46]([CH2:35][OH:72])[O:95][C@:65]4([C:63](=[O:87])[OH:88])[CH2:31][C@H:42]([OH:77])[C@@H:49]([N:67]=[C:38]([CH3:3])[OH:74])[C@H:58]([C@@H:51]([C@@H:44]([CH2:33][OH:70])[OH:79])[OH:81])[O:96]4)[OH:83])[O:97]3)[C@@H:52]([OH:82])[C@@H:45]([CH2:34][OH:71])[O:92]2)[C@@H:47]([CH2:36][OH:73])[O:93]1)[N:69]=[C:48]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH3:2])[OH:80])[OH:76] |
|