| Properties | Image |
|---|
| MNX_ID | MNXM1064168 |
 |
| reference | slm:000756824 |
| formula | C65H114N3O37 |
| global charge | -1 |
| mol weight | 1529.611 |
| InChIKey | CPAYPGUFESBXFL-HXJUZXCJSA-M |
| InChI | InChI=1S/C65H115N3O37/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-31(77)42(81)30(68-39(80)18-6-2)27-94-60-49(88)48(87)53(38(26-74)99-60)100-61-51(90)57(46(85)36(24-72)96-61)103-62-50(89)56(45(84)35(23-71)97-62)102-59-41(67-29(4)76)54(44(83)34(22-70)95-59)101-63-52(91)58(47(86)37(25-73)98-63)105-65(64(92)93)20-32(78)40(66-28(3)75)55(104-65)43(82)33(79)21-69/h30-38,40-63,69-74,77-79,81-91H,5-27H2,1-4H3,(H,66,75)(H,67,76)(H,68,80)(H,92,93)/p-1/t30-,31+,32-,33+,34+,35+,36+,37+,38+,40+,41+,42-,43+,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,57-,58-,59-,60+,61-,62+,63-,65-/m0/s1 |
| SMILES | CCCCCCCCCCCCCC[C@@H](O)[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](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]2O)[C@H](O)[C@H]1O)NC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C65H115N3O37/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-31(77)42(81)30(68-39(80)18-6-2)27-94-60-49(88)48(87)53(38(26-74)99-60)100-61-51(90)57(46(85)36(24-72)96-61)103-62-50(89)56(45(84)35(23-71)97-62)102-59-41(67-29(4)76)54(44(83)34(22-70)95-59)101-63-52(91)58(47(86)37(25-73)98-63)105-65(64(92)93)20-32(78)40(66-28(3)75)55(104-65)43(82)33(79)21-69/h30-38,40-63,69-74,77-79,81-91H,5-27H2,1-4H3,(H,66,75)(H,67,76)(H,68,80)(H,92,93)/t30-,31+,32-,33+,34+,35+,36+,37+,38+,40+,41+,42-,43+,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,57-,58-,59-,60+,61-,62+,63-,65-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][C@H:31]([C@H:42]([C@H:30]([CH2:27][O:94][C@H:60]1[C@H:49]([OH:88])[C@@H:48]([OH:87])[C@H:53]([O:100][C@H:61]2[C@H:51]([OH:90])[C@@H:57]([O:103][C@@H:62]3[C@H:50]([OH:89])[C@@H:56]([O:102][C@H:59]4[C@H:41]([N:67]=[C:29]([CH3:4])[OH:76])[C@@H:54]([O:101][C@H:63]5[C@H:52]([OH:91])[C@@H:58]([O:105][C@:65]6([C:64](=[O:92])[OH:93])[CH2:20][C@H:32]([OH:78])[C@@H:40]([N:66]=[C:28]([CH3:3])[OH:75])[C@H:55]([C@@H:43]([C@@H:33]([CH2:21][OH:69])[OH:79])[OH:82])[O:104]6)[C@@H:47]([OH:86])[C@@H:37]([CH2:25][OH:73])[O:98]5)[C@@H:44]([OH:83])[C@@H:34]([CH2:22][OH:70])[O:95]4)[C@@H:45]([OH:84])[C@@H:35]([CH2:23][OH:71])[O:97]3)[C@@H:46]([OH:85])[C@@H:36]([CH2:24][OH:72])[O:96]2)[C@@H:38]([CH2:26][OH:74])[O:99]1)[N:68]=[C:39]([CH2:18][CH2:6][CH3:2])[OH:80])[OH:81])[OH:77] |
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