| Properties | Image |
|---|
| MNX_ID | MNXM524375 |
 |
| reference | slm:000486838 |
| formula | C111H182N7O63 |
| global charge | -5 |
| mol weight | 2622.663 |
| InChIKey | RNEDZUHMDWHEQN-AUNJCZGZSA-I |
| InChI | InChI=1S/C111H187N7O63/c1-9-11-13-15-17-19-20-21-22-24-25-27-29-31-55(134)54(118-70(142)32-30-28-26-23-18-16-14-12-10-2)47-164-99-85(151)84(150)88(68(45-126)167-99)169-101-87(153)97(181-111(106(162)163)37-60(139)75(116-52(7)132)95(179-111)83(149)67(44-125)174-109(104(158)159)35-58(137)73(114-50(5)130)93(177-109)81(147)65(42-123)172-107(102(154)155)33-56(135)71(112-48(3)128)91(175-107)77(143)61(140)38-119)89(69(46-127)168-101)170-98-76(117-53(8)133)90(79(145)63(40-121)165-98)171-100-86(152)96(80(146)64(41-122)166-100)180-110(105(160)161)36-59(138)74(115-51(6)131)94(178-110)82(148)66(43-124)173-108(103(156)157)34-57(136)72(113-49(4)129)92(176-108)78(144)62(141)39-120/h29,31,54-69,71-101,119-127,134-141,143-153H,9-28,30,32-47H2,1-8H3,(H,112,128)(H,113,129)(H,114,130)(H,115,131)(H,116,132)(H,117,133)(H,118,142)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)/p-5/b31-29+/t54-,55+,56-,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,71+,72+,73+,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-,107+,108+,109+,110-,111-/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](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](CO)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)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C111H187N7O63/c1-9-11-13-15-17-19-20-21-22-24-25-27-29-31-55(134)54(118-70(142)32-30-28-26-23-18-16-14-12-10-2)47-164-99-85(151)84(150)88(68(45-126)167-99)169-101-87(153)97(181-111(106(162)163)37-60(139)75(116-52(7)132)95(179-111)83(149)67(44-125)174-109(104(158)159)35-58(137)73(114-50(5)130)93(177-109)81(147)65(42-123)172-107(102(154)155)33-56(135)71(112-48(3)128)91(175-107)77(143)61(140)38-119)89(69(46-127)168-101)170-98-76(117-53(8)133)90(79(145)63(40-121)165-98)171-100-86(152)96(80(146)64(41-122)166-100)180-110(105(160)161)36-59(138)74(115-51(6)131)94(178-110)82(148)66(43-124)173-108(103(156)157)34-57(136)72(113-49(4)129)92(176-108)78(144)62(141)39-120/h29,31,54-69,71-101,119-127,134-141,143-153H,9-28,30,32-47H2,1-8H3,(H,112,128)(H,113,129)(H,114,130)(H,115,131)(H,116,132)(H,117,133)(H,118,142)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)/b31-29+/t54-,55+,56-,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,71+,72+,73+,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-,107+,108+,109+,110-,111-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27]/[CH:29]=[CH:31]/[C@H:55]([C@H:54]([CH2:47][O:164][C@H:99]1[C@H:85]([OH:151])[C@@H:84]([OH:150])[C@H:88]([O:169][C@H:101]2[C@H:87]([OH:153])[C@@H:97]([O:181][C@:111]3([C:106](=[O:162])[OH:163])[CH2:37][C@H:60]([OH:139])[C@@H:75]([N:116]=[C:52]([CH3:7])[OH:132])[C@H:95]([C@@H:83]([C@@H:67]([CH2:44][OH:125])[O:174][C@:109]4([C:104](=[O:158])[OH:159])[CH2:35][C@H:58]([OH:137])[C@@H:73]([N:114]=[C:50]([CH3:5])[OH:130])[C@H:93]([C@@H:81]([C@@H:65]([CH2:42][OH:123])[O:172][C@:107]5([C:102](=[O:154])[OH:155])[CH2:33][C@H:56]([OH:135])[C@@H:71]([N:112]=[C:48]([CH3:3])[OH:128])[C@H:91]([C@@H:77]([C@@H:61]([CH2:38][OH:119])[OH:140])[OH:143])[O:175]5)[OH:147])[O:177]4)[OH:149])[O:179]3)[C@@H:89]([O:170][C@H:98]3[C@H:76]([N:117]=[C:53]([CH3:8])[OH:133])[C@@H:90]([O:171][C@H:100]4[C@H:86]([OH:152])[C@@H:96]([O:180][C@:110]5([C:105](=[O:160])[OH:161])[CH2:36][C@H:59]([OH:138])[C@@H:74]([N:115]=[C:51]([CH3:6])[OH:131])[C@H:94]([C@@H:82]([C@@H:66]([CH2:43][OH:124])[O:173][C@:108]6([C:103](=[O:156])[OH:157])[CH2:34][C@H:57]([OH:136])[C@@H:72]([N:113]=[C:49]([CH3:4])[OH:129])[C@H:92]([C@@H:78]([C@@H:62]([CH2:39][OH:120])[OH:141])[OH:144])[O:176]6)[OH:148])[O:178]5)[C@@H:80]([OH:146])[C@@H:64]([CH2:41][OH:122])[O:166]4)[C@@H:79]([OH:145])[C@@H:63]([CH2:40][OH:121])[O:165]3)[C@@H:69]([CH2:46][OH:127])[O:168]2)[C@@H:68]([CH2:45][OH:126])[O:167]1)[N:118]=[C:70]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:142])[OH:134] |
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