| Properties | Image |
|---|
| MNX_ID | MNXM1077664 |
 |
| reference | slm:000770867 |
| formula | C65H111N4O36 |
| global charge | -1 |
| mol weight | 1524.595 |
| InChIKey | DVBTWWFVNPMIMX-SAMIXPOXSA-M |
| InChI | InChI=1S/C65H112N4O36/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(80)32(66-28(2)76)27-94-61-50(89)48(87)54(38(24-73)97-61)101-63-52(91)58(105-65(64(92)93)20-34(81)41(67-29(3)77)57(104-65)44(83)35(82)21-70)55(40(26-75)99-63)102-60-43(69-31(5)79)56(46(85)37(23-72)96-60)103-62-51(90)49(88)53(39(25-74)98-62)100-59-42(68-30(4)78)47(86)45(84)36(22-71)95-59/h18-19,32-63,70-75,80-91H,6-17,20-27H2,1-5H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,92,93)/p-1/b19-18+/t32-,33+,34-,35+,36+,37+,38+,39+,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 | CCCCCCCCCCCCC/C=C/[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C65H112N4O36/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(80)32(66-28(2)76)27-94-61-50(89)48(87)54(38(24-73)97-61)101-63-52(91)58(105-65(64(92)93)20-34(81)41(67-29(3)77)57(104-65)44(83)35(82)21-70)55(40(26-75)99-63)102-60-43(69-31(5)79)56(46(85)37(23-72)96-60)103-62-51(90)49(88)53(39(25-74)98-62)100-59-42(68-30(4)78)47(86)45(84)36(22-71)95-59/h18-19,32-63,70-75,80-91H,6-17,20-27H2,1-5H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,92,93)/b19-18+/t32-,33+,34-,35+,36+,37+,38+,39+,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][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:33]([C@H:32]([CH2:27][O:94][C@H:61]1[C@H:50]([OH:89])[C@@H:48]([OH:87])[C@H:54]([O:101][C@H:63]2[C@H:52]([OH:91])[C@@H:58]([O:105][C@:65]3([C:64](=[O:92])[OH:93])[CH2:20][C@H:34]([OH:81])[C@@H:41]([N:67]=[C:29]([CH3:3])[OH:77])[C@H:57]([C@@H:44]([C@@H:35]([CH2:21][OH:70])[OH:82])[OH:83])[O:104]3)[C@@H:55]([O:102][C@H:60]3[C@H:43]([N:69]=[C:31]([CH3:5])[OH:79])[C@@H:56]([O:103][C@H:62]4[C@H:51]([OH:90])[C@@H:49]([OH:88])[C@@H:53]([O:100][C@H:59]5[C@H:42]([N:68]=[C:30]([CH3:4])[OH:78])[C@@H:47]([OH:86])[C@@H:45]([OH:84])[C@@H:36]([CH2:22][OH:71])[O:95]5)[C@@H:39]([CH2:25][OH:74])[O:98]4)[C@@H:46]([OH:85])[C@@H:37]([CH2:23][OH:72])[O:96]3)[C@@H:40]([CH2:26][OH:75])[O:99]2)[C@@H:38]([CH2:24][OH:73])[O:97]1)[N:66]=[C:28]([CH3:2])[OH:76])[OH:80] |
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