| Properties | Image |
|---|
| MNX_ID | MNXM1066780 |
 |
| reference | slm:000759889 |
| formula | C77H139N3O37 |
| global charge | 0 |
| mol weight | 1698.943 |
| InChIKey | SYHOQUJUYMHPBI-GQSLIOSDSA-N |
| InChI | InChI=1S/C77H139N3O37/c1-7-8-9-10-11-12-13-14-15-16-19-22-25-28-42(89)41(80-49(90)29-26-23-20-17-18-21-24-27-37(2)3)36-104-73-62(101)59(98)66(47(34-85)110-73)113-75-63(102)60(99)65(48(35-86)111-75)112-72-51(79-40(6)88)67(54(93)44(31-82)107-72)114-77-70(117-74-61(100)58(97)52(91)38(4)105-74)69(56(95)46(33-84)109-77)116-76-64(103)68(55(94)45(32-83)108-76)115-71-50(78-39(5)87)57(96)53(92)43(30-81)106-71/h37-38,41-48,50-77,81-86,89,91-103H,7-36H2,1-6H3,(H,78,87)(H,79,88)(H,80,90)/t38-,41-,42+,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+,71-,72-,73+,74-,75-,76+,77-/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@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C77H139N3O37/c1-7-8-9-10-11-12-13-14-15-16-19-22-25-28-42(89)41(80-49(90)29-26-23-20-17-18-21-24-27-37(2)3)36-104-73-62(101)59(98)66(47(34-85)110-73)113-75-63(102)60(99)65(48(35-86)111-75)112-72-51(79-40(6)88)67(54(93)44(31-82)107-72)114-77-70(117-74-61(100)58(97)52(91)38(4)105-74)69(56(95)46(33-84)109-77)116-76-64(103)68(55(94)45(32-83)108-76)115-71-50(78-39(5)87)57(96)53(92)43(30-81)106-71/h37-38,41-48,50-77,81-86,89,91-103H,7-36H2,1-6H3,(H,78,87)(H,79,88)(H,80,90)/t38-,41-,42+,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+,71-,72-,73+,74-,75-,76+,77-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][C@H:42]([C@H:41]([CH2:36][O:104][C@H:73]1[C@H:62]([OH:101])[C@@H:59]([OH:98])[C@H:66]([O:113][C@H:75]2[C@H:63]([OH:102])[C@@H:60]([OH:99])[C@@H:65]([O:112][C@H:72]3[C@H:51]([N:79]=[C:40]([CH3:6])[OH:88])[C@@H:67]([O:114][C@H:77]4[C@H:70]([O:117][C@H:74]5[C@@H:61]([OH:100])[C@H:58]([OH:97])[C@H:52]([OH:91])[C@H:38]([CH3:4])[O:105]5)[C@@H:69]([O:116][C@@H:76]5[C@H:64]([OH:103])[C@@H:68]([O:115][C@H:71]6[C@H:50]([N:78]=[C:39]([CH3:5])[OH:87])[C@@H:57]([OH:96])[C@@H:53]([OH:92])[C@@H:43]([CH2:30][OH:81])[O:106]6)[C@@H:55]([OH:94])[C@@H:45]([CH2:32][OH:83])[O:108]5)[C@@H:56]([OH:95])[C@@H:46]([CH2:33][OH:84])[O:109]4)[C@@H:54]([OH:93])[C@@H:44]([CH2:31][OH:82])[O:107]3)[C@@H:48]([CH2:35][OH:86])[O:111]2)[C@@H:47]([CH2:34][OH:85])[O:110]1)[N:80]=[C:49]([CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:18][CH2:21][CH2:24][CH2:27][CH:37]([CH3:2])[CH3:3])[OH:90])[OH:89] |
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