| Properties | Image |
|---|
| MNX_ID | MNXM1113076 |
 |
| reference | chebi:147167 |
| formula | C120H202N6O86 |
| global charge | 0 |
| mol weight | 3104.892 |
| InChIKey | AEYJSTWFWNLAIK-USPLYJLBSA-N |
| InChI | InChI=1S/C120H202N6O86/c1-26-56(146)69(159)78(168)109(181-26)179-24-38(145)89(61(151)37(12-127)121-31(6)139)198-104-51(122-32(7)140)68(158)90(44(18-133)191-104)200-118-88(178)101(67(157)50(197-118)25-180-119-102(77(167)65(155)42(16-131)190-119)211-107-54(125-35(10)143)98(207-112-81(171)72(162)59(149)29(4)184-112)93(47(21-136)194-107)202-115-84(174)75(165)63(153)40(14-129)187-115)210-120-103(212-108-55(126-36(11)144)99(208-113-82(172)73(163)60(150)30(5)185-113)94(48(22-137)195-108)203-116-85(175)76(166)64(154)41(15-130)188-116)86(176)91(45(19-134)196-120)199-105-52(123-33(8)141)96(205-110-79(169)70(160)57(147)27(2)182-110)95(49(23-138)192-105)204-117-87(177)100(66(156)43(17-132)189-117)209-106-53(124-34(9)142)97(206-111-80(170)71(161)58(148)28(3)183-111)92(46(20-135)193-106)201-114-83(173)74(164)62(152)39(13-128)186-114/h26-30,37-120,127-138,145-178H,12-25H2,1-11H3,(H,121,139)(H,122,140)(H,123,141)(H,124,142)(H,125,143)(H,126,144)/t26-,27-,28-,29-,30-,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-,64-,65+,66-,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+,95+,96+,97+,98+,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109+,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[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]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O[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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C120H202N6O86/c1-26-56(146)69(159)78(168)109(181-26)179-24-38(145)89(61(151)37(12-127)121-31(6)139)198-104-51(122-32(7)140)68(158)90(44(18-133)191-104)200-118-88(178)101(67(157)50(197-118)25-180-119-102(77(167)65(155)42(16-131)190-119)211-107-54(125-35(10)143)98(207-112-81(171)72(162)59(149)29(4)184-112)93(47(21-136)194-107)202-115-84(174)75(165)63(153)40(14-129)187-115)210-120-103(212-108-55(126-36(11)144)99(208-113-82(172)73(163)60(150)30(5)185-113)94(48(22-137)195-108)203-116-85(175)76(166)64(154)41(15-130)188-116)86(176)91(45(19-134)196-120)199-105-52(123-33(8)141)96(205-110-79(169)70(160)57(147)27(2)182-110)95(49(23-138)192-105)204-117-87(177)100(66(156)43(17-132)189-117)209-106-53(124-34(9)142)97(206-111-80(170)71(161)58(148)28(3)183-111)92(46(20-135)193-106)201-114-83(173)74(164)62(152)39(13-128)186-114/h26-30,37-120,127-138,145-178H,12-25H2,1-11H3,(H,121,139)(H,122,140)(H,123,141)(H,124,142)(H,125,143)(H,126,144)/t26-,27-,28-,29-,30-,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-,64-,65+,66-,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+,95+,96+,97+,98+,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109+,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:26]1[C@@H:56]([OH:146])[C@@H:69]([OH:159])[C@H:78]([OH:168])[C@H:109]([O:179][CH2:24][C@H:38]([C@H:89]([C@@H:61]([C@H:37]([CH2:12][OH:127])[N:121]=[C:31]([CH3:6])[OH:139])[OH:151])[O:198][C@H:104]2[C@H:51]([N:122]=[C:32]([CH3:7])[OH:140])[C@@H:68]([OH:158])[C@H:90]([O:200][C@H:118]3[C@@H:88]([OH:178])[C@@H:101]([O:210][C@@H:120]4[C@@H:103]([O:212][C@H:108]5[C@H:55]([N:126]=[C:36]([CH3:11])[OH:144])[C@@H:99]([O:208][C@H:113]6[C@@H:82]([OH:172])[C@H:73]([OH:163])[C@H:60]([OH:150])[C@H:30]([CH3:5])[O:185]6)[C@H:94]([O:203][C@H:116]6[C@H:85]([OH:175])[C@@H:76]([OH:166])[C@@H:64]([OH:154])[C@@H:41]([CH2:15][OH:130])[O:188]6)[C@@H:48]([CH2:22][OH:137])[O:195]5)[C@@H:86]([OH:176])[C@H:91]([O:199][C@H:105]5[C@H:52]([N:123]=[C:33]([CH3:8])[OH:141])[C@@H:96]([O:205][C@H:110]6[C@@H:79]([OH:169])[C@H:70]([OH:160])[C@H:57]([OH:147])[C@H:27]([CH3:2])[O:182]6)[C@H:95]([O:204][C@H:117]6[C@H:87]([OH:177])[C@@H:100]([O:209][C@H:106]7[C@H:53]([N:124]=[C:34]([CH3:9])[OH:142])[C@@H:97]([O:206][C@H:111]8[C@@H:80]([OH:170])[C@H:71]([OH:161])[C@H:58]([OH:148])[C@H:28]([CH3:3])[O:183]8)[C@H:92]([O:201][C@H:114]8[C@H:83]([OH:173])[C@@H:74]([OH:164])[C@@H:62]([OH:152])[C@@H:39]([CH2:13][OH:128])[O:186]8)[C@@H:46]([CH2:20][OH:135])[O:193]7)[C@@H:66]([OH:156])[C@@H:43]([CH2:17][OH:132])[O:189]6)[C@@H:49]([CH2:23][OH:138])[O:192]5)[C@@H:45]([CH2:19][OH:134])[O:196]4)[C@H:67]([OH:157])[C@@H:50]([CH2:25][O:180][C@@H:119]4[C@@H:102]([O:211][C@H:107]5[C@H:54]([N:125]=[C:35]([CH3:10])[OH:143])[C@@H:98]([O:207][C@H:112]6[C@@H:81]([OH:171])[C@H:72]([OH:162])[C@H:59]([OH:149])[C@H:29]([CH3:4])[O:184]6)[C@H:93]([O:202][C@H:115]6[C@H:84]([OH:174])[C@@H:75]([OH:165])[C@@H:63]([OH:153])[C@@H:40]([CH2:14][OH:129])[O:187]6)[C@@H:47]([CH2:21][OH:136])[O:194]5)[C@@H:77]([OH:167])[C@H:65]([OH:155])[C@@H:42]([CH2:16][OH:131])[O:190]4)[O:197]3)[C@@H:44]([CH2:18][OH:133])[O:191]2)[OH:145])[O:181]1 |
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