| Properties | Image |
|---|
| MNX_ID | MNXM1062993 |
 |
| reference | slm:000755629 |
| formula | C106H184N4O43 |
| global charge | 0 |
| mol weight | 2202.623 |
| InChIKey | UPFOPJAKGWSXLO-ZNKMZTQPSA-N |
| InChI | InChI=1S/C106H184N4O43/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-73(122)110-64(78(124)65(121)50-48-46-44-42-40-20-18-16-14-12-10-8-2)59-138-102-89(135)86(132)92(70(56-115)144-102)147-104-90(136)87(133)93(71(57-116)145-104)148-105-91(137)97(152-101-75(108-62(5)119)95(81(127)68(54-113)142-101)150-99-74(107-61(4)118)83(129)79(125)66(52-111)140-99)94(72(58-117)146-105)149-100-76(109-63(6)120)96(82(128)69(55-114)141-100)151-106-98(85(131)80(126)67(53-112)143-106)153-103-88(134)84(130)77(123)60(3)139-103/h15,17,21-22,24-25,27-28,30-31,60,64-72,74-106,111-117,121,123-137H,7-14,16,18-20,23,26,29,32-59H2,1-6H3,(H,107,118)(H,108,119)(H,109,120)(H,110,122)/b17-15-,22-21-,25-24-,28-27-,31-30-/t60-,64-,65+,66+,67+,68+,69+,70+,71+,72+,74+,75+,76+,77+,78-,79-,80-,81-,82-,83+,84+,85-,86+,87+,88-,89+,90+,91+,92+,93-,94-,95+,96+,97+,98+,99+,100-,101-,102+,103-,104-,105+,106-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=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]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=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]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C106H184N4O43/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-73(122)110-64(78(124)65(121)50-48-46-44-42-40-20-18-16-14-12-10-8-2)59-138-102-89(135)86(132)92(70(56-115)144-102)147-104-90(136)87(133)93(71(57-116)145-104)148-105-91(137)97(152-101-75(108-62(5)119)95(81(127)68(54-113)142-101)150-99-74(107-61(4)118)83(129)79(125)66(52-111)140-99)94(72(58-117)146-105)149-100-76(109-63(6)120)96(82(128)69(55-114)141-100)151-106-98(85(131)80(126)67(53-112)143-106)153-103-88(134)84(130)77(123)60(3)139-103/h15,17,21-22,24-25,27-28,30-31,60,64-72,74-106,111-117,121,123-137H,7-14,16,18-20,23,26,29,32-59H2,1-6H3,(H,107,118)(H,108,119)(H,109,120)(H,110,122)/b17-15-,22-21-,25-24-,28-27-,31-30-/t60-,64-,65+,66+,67+,68+,69+,70+,71+,72+,74+,75+,76+,77+,78-,79-,80-,81-,82-,83+,84+,85-,86+,87+,88-,89+,90+,91+,92+,93-,94-,95+,96+,97+,98+,99+,100-,101-,102+,103-,104-,105+,106-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:73](=[N:110][C@@H:64]([CH2:59][O:138][C@H:102]1[C@H:89]([OH:135])[C@@H:86]([OH:132])[C@H:92]([O:147][C@H:104]2[C@H:90]([OH:136])[C@@H:87]([OH:133])[C@@H:93]([O:148][C@@H:105]3[C@H:91]([OH:137])[C@@H:97]([O:152][C@H:101]4[C@H:75]([N:108]=[C:62]([CH3:5])[OH:119])[C@@H:95]([O:150][C@@H:99]5[C@H:74]([N:107]=[C:61]([CH3:4])[OH:118])[C@@H:83]([OH:129])[C@@H:79]([OH:125])[C@@H:66]([CH2:52][OH:111])[O:140]5)[C@@H:81]([OH:127])[C@@H:68]([CH2:54][OH:113])[O:142]4)[C@@H:94]([O:149][C@H:100]4[C@H:76]([N:109]=[C:63]([CH3:6])[OH:120])[C@@H:96]([O:151][C@H:106]5[C@H:98]([O:153][C@H:103]6[C@@H:88]([OH:134])[C@H:84]([OH:130])[C@H:77]([OH:123])[C@H:60]([CH3:3])[O:139]6)[C@@H:85]([OH:131])[C@@H:80]([OH:126])[C@@H:67]([CH2:53][OH:112])[O:143]5)[C@@H:82]([OH:128])[C@@H:69]([CH2:55][OH:114])[O:141]4)[C@@H:72]([CH2:58][OH:117])[O:146]3)[C@@H:71]([CH2:57][OH:116])[O:145]2)[C@@H:70]([CH2:56][OH:115])[O:144]1)[C@@H:78]([C@@H:65]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:121])[OH:124])[OH:122] |
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