| Properties | Image |
|---|
| MNX_ID | MNXM1070292 |
 |
| reference | slm:000763425 |
| formula | C102H172N4O40 |
| global charge | -2 |
| mol weight | 2094.486 |
| InChIKey | SAMQFPNCGJNUTC-WJQROQFESA-L |
| InChI | InChI=1S/C102H174N4O40/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-75(121)105-65(66(116)51-49-47-45-43-41-39-18-16-14-12-10-8-6-2)62-135-96-85(128)84(127)88(73(59-111)138-96)140-98-87(130)94(146-102(100(133)134)54-68(118)78(106-76(122)61-113)92(144-102)81(124)70(120)56-108)89(74(60-112)139-98)141-95-79(104-64(4)115)90(82(125)71(57-109)136-95)142-97-86(129)93(83(126)72(58-110)137-97)145-101(99(131)132)53-67(117)77(103-63(3)114)91(143-101)80(123)69(119)55-107/h7,9,13,15,19-20,22-23,25-26,28-29,65-74,77-98,107-113,116-120,123-130H,5-6,8,10-12,14,16-18,21,24,27,30-62H2,1-4H3,(H,103,114)(H,104,115)(H,105,121)(H,106,122)(H,131,132)(H,133,134)/p-2/b9-7-,15-13-,20-19-,23-22-,26-25-,29-28-/t65-,66+,67-,68-,69+,70+,71+,72+,73+,74+,77+,78+,79+,80+,81+,82-,83-,84+,85+,86+,87+,88+,89-,90+,91+,92+,93-,94+,95-,96+,97-,98-,101-,102-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=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](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C102H174N4O40/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-75(121)105-65(66(116)51-49-47-45-43-41-39-18-16-14-12-10-8-6-2)62-135-96-85(128)84(127)88(73(59-111)138-96)140-98-87(130)94(146-102(100(133)134)54-68(118)78(106-76(122)61-113)92(144-102)81(124)70(120)56-108)89(74(60-112)139-98)141-95-79(104-64(4)115)90(82(125)71(57-109)136-95)142-97-86(129)93(83(126)72(58-110)137-97)145-101(99(131)132)53-67(117)77(103-63(3)114)91(143-101)80(123)69(119)55-107/h7,9,13,15,19-20,22-23,25-26,28-29,65-74,77-98,107-113,116-120,123-130H,5-6,8,10-12,14,16-18,21,24,27,30-62H2,1-4H3,(H,103,114)(H,104,115)(H,105,121)(H,106,122)(H,131,132)(H,133,134)/b9-7-,15-13-,20-19-,23-22-,26-25-,29-28-/t65-,66+,67-,68-,69+,70+,71+,72+,73+,74+,77+,78+,79+,80+,81+,82-,83-,84+,85+,86+,87+,88+,89-,90+,91+,92+,93-,94+,95-,96+,97-,98-,101-,102-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:75](=[N:105][C@@H:65]([CH2:62][O:135][C@H:96]1[C@H:85]([OH:128])[C@@H:84]([OH:127])[C@H:88]([O:140][C@H:98]2[C@H:87]([OH:130])[C@@H:94]([O:146][C@:102]3([C:100](=[O:133])[OH:134])[CH2:54][C@H:68]([OH:118])[C@@H:78]([N:106]=[C:76]([CH2:61][OH:113])[OH:122])[C@H:92]([C@@H:81]([C@@H:70]([CH2:56][OH:108])[OH:120])[OH:124])[O:144]3)[C@@H:89]([O:141][C@H:95]3[C@H:79]([N:104]=[C:64]([CH3:4])[OH:115])[C@@H:90]([O:142][C@H:97]4[C@H:86]([OH:129])[C@@H:93]([O:145][C@:101]5([C:99](=[O:131])[OH:132])[CH2:53][C@H:67]([OH:117])[C@@H:77]([N:103]=[C:63]([CH3:3])[OH:114])[C@H:91]([C@@H:80]([C@@H:69]([CH2:55][OH:107])[OH:119])[OH:123])[O:143]5)[C@@H:83]([OH:126])[C@@H:72]([CH2:58][OH:110])[O:137]4)[C@@H:82]([OH:125])[C@@H:71]([CH2:57][OH:109])[O:136]3)[C@@H:74]([CH2:60][OH:112])[O:139]2)[C@@H:73]([CH2:59][OH:111])[O:138]1)[C@@H:66]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:116])[OH:121] |
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