| Properties | Image |
|---|
| MNX_ID | MNXM1056709 |
 |
| reference | slm:000749248 |
| formula | C76H136N3O36 |
| global charge | -1 |
| mol weight | 1667.909 |
| InChIKey | IDWKFJSLMWZUDW-XVVCQINRSA-M |
| InChI | InChI=1S/C76H137N3O36/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-43(88)42(79-51(91)31-29-27-25-23-21-18-16-14-12-10-8-6-2)39-104-71-60(98)58(96)64(49(37-84)108-71)110-72-61(99)59(97)65(50(38-85)109-72)111-73-62(100)68(56(94)47(35-82)106-73)113-70-53(78-41(4)87)66(55(93)46(34-81)105-70)112-74-63(101)69(57(95)48(36-83)107-74)115-76(75(102)103)32-44(89)52(77-40(3)86)67(114-76)54(92)45(90)33-80/h42-50,52-74,80-85,88-90,92-101H,5-39H2,1-4H3,(H,77,86)(H,78,87)(H,79,91)(H,102,103)/p-1/t42-,43+,44-,45+,46+,47+,48+,49+,50+,52+,53+,54+,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65-,66+,67+,68-,69-,70-,71+,72-,73+,74-,76-/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)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H137N3O36/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-43(88)42(79-51(91)31-29-27-25-23-21-18-16-14-12-10-8-6-2)39-104-71-60(98)58(96)64(49(37-84)108-71)110-72-61(99)59(97)65(50(38-85)109-72)111-73-62(100)68(56(94)47(35-82)106-73)113-70-53(78-41(4)87)66(55(93)46(34-81)105-70)112-74-63(101)69(57(95)48(36-83)107-74)115-76(75(102)103)32-44(89)52(77-40(3)86)67(114-76)54(92)45(90)33-80/h42-50,52-74,80-85,88-90,92-101H,5-39H2,1-4H3,(H,77,86)(H,78,87)(H,79,91)(H,102,103)/t42-,43+,44-,45+,46+,47+,48+,49+,50+,52+,53+,54+,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65-,66+,67+,68-,69-,70-,71+,72-,73+,74-,76-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C@H:43]([C@H:42]([CH2:39][O:104][C@H:71]1[C@H:60]([OH:98])[C@@H:58]([OH:96])[C@H:64]([O:110][C@H:72]2[C@H:61]([OH:99])[C@@H:59]([OH:97])[C@@H:65]([O:111][C@@H:73]3[C@H:62]([OH:100])[C@@H:68]([O:113][C@H:70]4[C@H:53]([N:78]=[C:41]([CH3:4])[OH:87])[C@@H:66]([O:112][C@H:74]5[C@H:63]([OH:101])[C@@H:69]([O:115][C@:76]6([C:75](=[O:102])[OH:103])[CH2:32][C@H:44]([OH:89])[C@@H:52]([N:77]=[C:40]([CH3:3])[OH:86])[C@H:67]([C@@H:54]([C@@H:45]([CH2:33][OH:80])[OH:90])[OH:92])[O:114]6)[C@@H:57]([OH:95])[C@@H:48]([CH2:36][OH:83])[O:107]5)[C@@H:55]([OH:93])[C@@H:46]([CH2:34][OH:81])[O:105]4)[C@@H:56]([OH:94])[C@@H:47]([CH2:35][OH:82])[O:106]3)[C@@H:50]([CH2:38][OH:85])[O:109]2)[C@@H:49]([CH2:37][OH:84])[O:108]1)[N:79]=[C:51]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:91])[OH:88] |
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