| Properties | Image |
|---|
| MNX_ID | MNXM1059941 |
 |
| reference | slm:000752529 |
| formula | C70H127NO29 |
| global charge | 0 |
| mol weight | 1446.764 |
| InChIKey | DZZQKVOYRNSQED-OBZOKVSPSA-N |
| InChI | InChI=1S/C70H127NO29/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-49(78)71-42(50(79)43(77)34-32-30-28-26-24-16-14-12-10-8-6-4-2)41-91-66-58(87)55(84)62(47(39-75)95-66)97-68-59(88)56(85)63(48(40-76)96-68)98-69-60(89)65(53(82)45(37-73)93-69)100-70-61(90)64(52(81)46(38-74)94-70)99-67-57(86)54(83)51(80)44(36-72)92-67/h11,13,17-18,42-48,50-70,72-77,79-90H,3-10,12,14-16,19-41H2,1-2H3,(H,71,78)/b13-11-,18-17-/t42-,43+,44+,45+,46+,47+,48+,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66+,67+,68-,69+,70+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=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]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@H]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H127NO29/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-49(78)71-42(50(79)43(77)34-32-30-28-26-24-16-14-12-10-8-6-4-2)41-91-66-58(87)55(84)62(47(39-75)95-66)97-68-59(88)56(85)63(48(40-76)96-68)98-69-60(89)65(53(82)45(37-73)93-69)100-70-61(90)64(52(81)46(38-74)94-70)99-67-57(86)54(83)51(80)44(36-72)92-67/h11,13,17-18,42-48,50-70,72-77,79-90H,3-10,12,14-16,19-41H2,1-2H3,(H,71,78)/b13-11-,18-17-/t42-,43+,44+,45+,46+,47+,48+,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66+,67+,68-,69+,70+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:49](=[N:71][C@@H:42]([CH2:41][O:91][C@H:66]1[C@H:58]([OH:87])[C@@H:55]([OH:84])[C@H:62]([O:97][C@H:68]2[C@H:59]([OH:88])[C@@H:56]([OH:85])[C@@H:63]([O:98][C@@H:69]3[C@H:60]([OH:89])[C@@H:65]([O:100][C@@H:70]4[C@H:61]([OH:90])[C@@H:64]([O:99][C@@H:67]5[C@H:57]([OH:86])[C@@H:54]([OH:83])[C@@H:51]([OH:80])[C@@H:44]([CH2:36][OH:72])[O:92]5)[C@@H:52]([OH:81])[C@@H:46]([CH2:38][OH:74])[O:94]4)[C@@H:53]([OH:82])[C@@H:45]([CH2:37][OH:73])[O:93]3)[C@@H:48]([CH2:40][OH:76])[O:96]2)[C@@H:47]([CH2:39][OH:75])[O:95]1)[C@@H:50]([C@@H:43]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:77])[OH:79])[OH:78] |
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