| Properties | Image |
|---|
| MNX_ID | MNXM524677 |
 |
| reference | slm:000486809 |
| formula | C102H168N6O55 |
| global charge | -4 |
| mol weight | 2358.453 |
| InChIKey | YYEXCQXWVSZSIZ-FVEZEJRCSA-J |
| InChI | InChI=1S/C102H172N6O55/c1-8-10-12-14-16-18-20-21-23-24-26-28-30-32-53(122)52(108-66(129)33-31-29-27-25-22-19-17-15-13-11-9-2)46-148-92-79(137)78(136)82(64(44-115)151-92)153-94-81(139)90(163-102(98(146)147)37-57(126)70(106-50(6)120)88(161-102)77(135)63(43-114)157-100(96(142)143)35-55(124)68(104-48(4)118)86(159-100)73(131)59(128)39-110)83(65(45-116)152-94)154-91-71(107-51(7)121)84(74(132)60(40-111)149-91)155-93-80(138)89(75(133)61(41-112)150-93)162-101(97(144)145)36-56(125)69(105-49(5)119)87(160-101)76(134)62(42-113)156-99(95(140)141)34-54(123)67(103-47(3)117)85(158-99)72(130)58(127)38-109/h15,17,30,32,52-65,67-94,109-116,122-128,130-139H,8-14,16,18-29,31,33-46H2,1-7H3,(H,103,117)(H,104,118)(H,105,119)(H,106,120)(H,107,121)(H,108,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)/p-4/b17-15-,32-30+/t52-,53+,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,67+,68+,69+,70+,71+,72+,73+,74-,75-,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+,86+,87+,88+,89-,90+,91-,92+,93-,94-,99+,100+,101-,102-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=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](CO)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)O5)[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](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C102H172N6O55/c1-8-10-12-14-16-18-20-21-23-24-26-28-30-32-53(122)52(108-66(129)33-31-29-27-25-22-19-17-15-13-11-9-2)46-148-92-79(137)78(136)82(64(44-115)151-92)153-94-81(139)90(163-102(98(146)147)37-57(126)70(106-50(6)120)88(161-102)77(135)63(43-114)157-100(96(142)143)35-55(124)68(104-48(4)118)86(159-100)73(131)59(128)39-110)83(65(45-116)152-94)154-91-71(107-51(7)121)84(74(132)60(40-111)149-91)155-93-80(138)89(75(133)61(41-112)150-93)162-101(97(144)145)36-56(125)69(105-49(5)119)87(160-101)76(134)62(42-113)156-99(95(140)141)34-54(123)67(103-47(3)117)85(158-99)72(130)58(127)38-109/h15,17,30,32,52-65,67-94,109-116,122-128,130-139H,8-14,16,18-29,31,33-46H2,1-7H3,(H,103,117)(H,104,118)(H,105,119)(H,106,120)(H,107,121)(H,108,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)/b17-15-,32-30+/t52-,53+,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,67+,68+,69+,70+,71+,72+,73+,74-,75-,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+,86+,87+,88+,89-,90+,91-,92+,93-,94-,99+,100+,101-,102-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28]/[CH:30]=[CH:32]/[C@H:53]([C@H:52]([CH2:46][O:148][C@H:92]1[C@H:79]([OH:137])[C@@H:78]([OH:136])[C@H:82]([O:153][C@H:94]2[C@H:81]([OH:139])[C@@H:90]([O:163][C@:102]3([C:98](=[O:146])[OH:147])[CH2:37][C@H:57]([OH:126])[C@@H:70]([N:106]=[C:50]([CH3:6])[OH:120])[C@H:88]([C@@H:77]([C@@H:63]([CH2:43][OH:114])[O:157][C@:100]4([C:96](=[O:142])[OH:143])[CH2:35][C@H:55]([OH:124])[C@@H:68]([N:104]=[C:48]([CH3:4])[OH:118])[C@H:86]([C@@H:73]([C@@H:59]([CH2:39][OH:110])[OH:128])[OH:131])[O:159]4)[OH:135])[O:161]3)[C@@H:83]([O:154][C@H:91]3[C@H:71]([N:107]=[C:51]([CH3:7])[OH:121])[C@@H:84]([O:155][C@H:93]4[C@H:80]([OH:138])[C@@H:89]([O:162][C@:101]5([C:97](=[O:144])[OH:145])[CH2:36][C@H:56]([OH:125])[C@@H:69]([N:105]=[C:49]([CH3:5])[OH:119])[C@H:87]([C@@H:76]([C@@H:62]([CH2:42][OH:113])[O:156][C@:99]6([C:95](=[O:140])[OH:141])[CH2:34][C@H:54]([OH:123])[C@@H:67]([N:103]=[C:47]([CH3:3])[OH:117])[C@H:85]([C@@H:72]([C@@H:58]([CH2:38][OH:109])[OH:127])[OH:130])[O:158]6)[OH:134])[O:160]5)[C@@H:75]([OH:133])[C@@H:61]([CH2:41][OH:112])[O:150]4)[C@@H:74]([OH:132])[C@@H:60]([CH2:40][OH:111])[O:149]3)[C@@H:65]([CH2:45][OH:116])[O:152]2)[C@@H:64]([CH2:44][OH:115])[O:151]1)[N:108]=[C:66]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22][CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH3:2])[OH:129])[OH:122] |
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