| Properties | Image |
|---|
| MNX_ID | MNXM523323 |
 |
| reference | slm:000487237 |
| formula | C65H114N3O31 |
| global charge | -1 |
| mol weight | 1433.617 |
| InChIKey | DQXGRCLOWTUDRX-UKFHJLTFSA-M |
| InChI | InChI=1S/C65H115N3O31/c1-5-7-9-11-13-14-15-16-17-18-20-21-23-25-37(76)36(68-44(79)26-24-22-19-12-10-8-6-2)33-90-61-53(86)51(84)55(42(31-72)93-61)95-63-54(87)59(99-65(64(88)89)27-38(77)45(66-34(3)74)58(98-65)47(80)39(78)28-69)56(43(32-73)94-63)96-60-46(67-35(4)75)57(49(82)41(30-71)91-60)97-62-52(85)50(83)48(81)40(29-70)92-62/h23,25,36-43,45-63,69-73,76-78,80-87H,5-22,24,26-33H2,1-4H3,(H,66,74)(H,67,75)(H,68,79)(H,88,89)/p-1/b25-23+/t36-,37+,38-,39+,40+,41+,42+,43+,45+,46+,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57+,58+,59+,60-,61+,62-,63-,65-/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]4O)[C@H]3NC(C)=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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H115N3O31/c1-5-7-9-11-13-14-15-16-17-18-20-21-23-25-37(76)36(68-44(79)26-24-22-19-12-10-8-6-2)33-90-61-53(86)51(84)55(42(31-72)93-61)95-63-54(87)59(99-65(64(88)89)27-38(77)45(66-34(3)74)58(98-65)47(80)39(78)28-69)56(43(32-73)94-63)96-60-46(67-35(4)75)57(49(82)41(30-71)91-60)97-62-52(85)50(83)48(81)40(29-70)92-62/h23,25,36-43,45-63,69-73,76-78,80-87H,5-22,24,26-33H2,1-4H3,(H,66,74)(H,67,75)(H,68,79)(H,88,89)/b25-23+/t36-,37+,38-,39+,40+,41+,42+,43+,45+,46+,47+,48-,49-,50-,51+,52+,53+,54+,55+,56-,57+,58+,59+,60-,61+,62-,63-,65-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:21]/[CH:23]=[CH:25]/[C@H:37]([C@H:36]([CH2:33][O:90][C@H:61]1[C@H:53]([OH:86])[C@@H:51]([OH:84])[C@H:55]([O:95][C@H:63]2[C@H:54]([OH:87])[C@@H:59]([O:99][C@:65]3([C:64](=[O:88])[OH:89])[CH2:27][C@H:38]([OH:77])[C@@H:45]([N:66]=[C:34]([CH3:3])[OH:74])[C@H:58]([C@@H:47]([C@@H:39]([CH2:28][OH:69])[OH:78])[OH:80])[O:98]3)[C@@H:56]([O:96][C@H:60]3[C@H:46]([N:67]=[C:35]([CH3:4])[OH:75])[C@@H:57]([O:97][C@H:62]4[C@H:52]([OH:85])[C@@H:50]([OH:83])[C@@H:48]([OH:81])[C@@H:40]([CH2:29][OH:70])[O:92]4)[C@@H:49]([OH:82])[C@@H:41]([CH2:30][OH:71])[O:91]3)[C@@H:43]([CH2:32][OH:73])[O:94]2)[C@@H:42]([CH2:31][OH:72])[O:93]1)[N:68]=[C:44]([CH2:26][CH2:24][CH2:22][CH2:19][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:79])[OH:76] |
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