| Properties | Image |
|---|
| MNX_ID | MNXM1056636 |
 |
| reference | slm:000749175 |
| formula | C67H118N3O36 |
| global charge | -1 |
| mol weight | 1541.666 |
| InChIKey | ZRNWUKSKOBQZSL-RCCCJDDCSA-M |
| InChI | InChI=1S/C67H119N3O36/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-21-34(79)33(70-42(82)22-19-8-6-2)30-95-62-51(89)49(87)55(40(28-75)99-62)101-63-52(90)50(88)56(41(29-76)100-63)102-64-53(91)59(47(85)38(26-73)97-64)104-61-44(69-32(4)78)57(46(84)37(25-72)96-61)103-65-54(92)60(48(86)39(27-74)98-65)106-67(66(93)94)23-35(80)43(68-31(3)77)58(105-67)45(83)36(81)24-71/h33-41,43-65,71-76,79-81,83-92H,5-30H2,1-4H3,(H,68,77)(H,69,78)(H,70,82)(H,93,94)/p-1/t33-,34+,35-,36+,37+,38+,39+,40+,41+,43+,44+,45+,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56-,57+,58+,59-,60-,61-,62+,63-,64+,65-,67-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCC[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]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H119N3O36/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-21-34(79)33(70-42(82)22-19-8-6-2)30-95-62-51(89)49(87)55(40(28-75)99-62)101-63-52(90)50(88)56(41(29-76)100-63)102-64-53(91)59(47(85)38(26-73)97-64)104-61-44(69-32(4)78)57(46(84)37(25-72)96-61)103-65-54(92)60(48(86)39(27-74)98-65)106-67(66(93)94)23-35(80)43(68-31(3)77)58(105-67)45(83)36(81)24-71/h33-41,43-65,71-76,79-81,83-92H,5-30H2,1-4H3,(H,68,77)(H,69,78)(H,70,82)(H,93,94)/t33-,34+,35-,36+,37+,38+,39+,40+,41+,43+,44+,45+,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56-,57+,58+,59-,60-,61-,62+,63-,64+,65-,67-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][C@H:34]([C@H:33]([CH2:30][O:95][C@H:62]1[C@H:51]([OH:89])[C@@H:49]([OH:87])[C@H:55]([O:101][C@H:63]2[C@H:52]([OH:90])[C@@H:50]([OH:88])[C@@H:56]([O:102][C@@H:64]3[C@H:53]([OH:91])[C@@H:59]([O:104][C@H:61]4[C@H:44]([N:69]=[C:32]([CH3:4])[OH:78])[C@@H:57]([O:103][C@H:65]5[C@H:54]([OH:92])[C@@H:60]([O:106][C@:67]6([C:66](=[O:93])[OH:94])[CH2:23][C@H:35]([OH:80])[C@@H:43]([N:68]=[C:31]([CH3:3])[OH:77])[C@H:58]([C@@H:45]([C@@H:36]([CH2:24][OH:71])[OH:81])[OH:83])[O:105]6)[C@@H:48]([OH:86])[C@@H:39]([CH2:27][OH:74])[O:98]5)[C@@H:46]([OH:84])[C@@H:37]([CH2:25][OH:72])[O:96]4)[C@@H:47]([OH:85])[C@@H:38]([CH2:26][OH:73])[O:97]3)[C@@H:41]([CH2:29][OH:76])[O:100]2)[C@@H:40]([CH2:28][OH:75])[O:99]1)[N:70]=[C:42]([CH2:22][CH2:19][CH2:8][CH2:6][CH3:2])[OH:82])[OH:79] |
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