| Properties | Image |
|---|
| MNX_ID | MNXM1057484 |
 |
| reference | slm:000750040 |
| formula | C70H124N2O28 |
| global charge | 0 |
| mol weight | 1441.748 |
| InChIKey | LWBKQKQKCUUPSH-CZMFQCDJSA-N |
| InChI | InChI=1S/C70H124N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-50(80)72-43(44(79)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-91-67-59(88)56(85)63(48(39-76)95-67)98-69-60(89)57(86)64(49(40-77)96-69)99-70-61(90)65(53(82)46(37-74)93-70)100-66-51(71-42(3)78)54(83)62(47(38-75)94-66)97-68-58(87)55(84)52(81)45(36-73)92-68/h6,8,12,14,18-19,43-49,51-70,73-77,79,81-90H,4-5,7,9-11,13,15-17,20-41H2,1-3H3,(H,71,78)(H,72,80)/b8-6-,14-12-,19-18-/t43-,44+,45+,46+,47+,48+,49+,51+,52-,53-,54+,55-,56+,57+,58+,59+,60+,61+,62-,63+,64-,65-,66-,67+,68+,69-,70+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H124N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-50(80)72-43(44(79)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-91-67-59(88)56(85)63(48(39-76)95-67)98-69-60(89)57(86)64(49(40-77)96-69)99-70-61(90)65(53(82)46(37-74)93-70)100-66-51(71-42(3)78)54(83)62(47(38-75)94-66)97-68-58(87)55(84)52(81)45(36-73)92-68/h6,8,12,14,18-19,43-49,51-70,73-77,79,81-90H,4-5,7,9-11,13,15-17,20-41H2,1-3H3,(H,71,78)(H,72,80)/b8-6-,14-12-,19-18-/t43-,44+,45+,46+,47+,48+,49+,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][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:50](=[N:72][C@@H:43]([CH2:41][O:91][C@H:67]1[C@H:59]([OH:88])[C@@H:56]([OH:85])[C@H:63]([O:98][C@H:69]2[C@H:60]([OH:89])[C@@H:57]([OH:86])[C@@H:64]([O:99][C@@H:70]3[C@H:61]([OH:90])[C@@H:65]([O:100][C@H:66]4[C@H:51]([N:71]=[C:42]([CH3:3])[OH:78])[C@@H:54]([OH:83])[C@@H:62]([O:97][C@@H:68]5[C@H:58]([OH:87])[C@@H:55]([OH:84])[C@@H:52]([OH:81])[C@@H:45]([CH2:36][OH:73])[O:92]5)[C@@H:47]([CH2:38][OH:75])[O:94]4)[C@@H:53]([OH:82])[C@@H:46]([CH2:37][OH:74])[O:93]3)[C@@H:49]([CH2:40][OH:77])[O:96]2)[C@@H:48]([CH2:39][OH:76])[O:95]1)[C@@H:44]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:79])[OH:80] |
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