| Properties | Image |
|---|
| MNX_ID | MNXM1113409 |
 |
| reference | chebi:147691 |
| formula | C120H200N6O90 |
| global charge | 0 |
| mol weight | 3166.872 |
| InChIKey | MWFAWALIYGMMRA-CFECVYHTSA-N |
| InChI | InChI=1S/C120H200N6O90/c1-25-55(147)72(164)78(170)109(185-25)183-24-48-95(66(158)49(103(181)186-48)121-26(2)141)204-106-52(124-29(5)144)69(161)93(42(18-137)197-106)209-118-88(180)100(214-120-102(216-108-54(126-31(7)146)71(163)92(44(20-139)199-108)208-117-87(179)99(64(156)39(15-134)194-117)213-113-82(174)76(168)59(151)35(11-130)190-113)83(175)94(45(21-140)200-120)203-105-51(123-28(4)143)68(160)90(41(17-136)196-105)206-115-85(177)97(62(154)37(13-132)192-115)211-111-80(172)74(166)57(149)33(9-128)188-111)65(157)47(201-118)23-184-119-101(215-107-53(125-30(6)145)70(162)91(43(19-138)198-107)207-116-86(178)98(63(155)38(14-133)193-116)212-112-81(173)75(167)58(150)34(10-129)189-112)77(169)60(152)46(202-119)22-182-104-50(122-27(3)142)67(159)89(40(16-135)195-104)205-114-84(176)96(61(153)36(12-131)191-114)210-110-79(171)73(165)56(148)32(8-127)187-110/h25,32-120,127-140,147-181H,8-24H2,1-7H3,(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)/t25-,32+,33+,34+,35+,36+,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](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[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](O)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[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](O)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C120H200N6O90/c1-25-55(147)72(164)78(170)109(185-25)183-24-48-95(66(158)49(103(181)186-48)121-26(2)141)204-106-52(124-29(5)144)69(161)93(42(18-137)197-106)209-118-88(180)100(214-120-102(216-108-54(126-31(7)146)71(163)92(44(20-139)199-108)208-117-87(179)99(64(156)39(15-134)194-117)213-113-82(174)76(168)59(151)35(11-130)190-113)83(175)94(45(21-140)200-120)203-105-51(123-28(4)143)68(160)90(41(17-136)196-105)206-115-85(177)97(62(154)37(13-132)192-115)211-111-80(172)74(166)57(149)33(9-128)188-111)65(157)47(201-118)23-184-119-101(215-107-53(125-30(6)145)70(162)91(43(19-138)198-107)207-116-86(178)98(63(155)38(14-133)193-116)212-112-81(173)75(167)58(150)34(10-129)189-112)77(169)60(152)46(202-119)22-182-104-50(122-27(3)142)67(159)89(40(16-135)195-104)205-114-84(176)96(61(153)36(12-131)191-114)210-110-79(171)73(165)56(148)32(8-127)187-110/h25,32-120,127-140,147-181H,8-24H2,1-7H3,(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)/t25-,32+,33+,34+,35+,36+,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:25]1[C@@H:55]([OH:147])[C@@H:72]([OH:164])[C@H:78]([OH:170])[C@H:109]([O:183][CH2:24][C@@H:48]2[C@@H:95]([O:204][C@H:106]3[C@H:52]([N:124]=[C:29]([CH3:5])[OH:144])[C@@H:69]([OH:161])[C@H:93]([O:209][C@H:118]4[C@@H:88]([OH:180])[C@@H:100]([O:214][C@@H:120]5[C@@H:102]([O:216][C@H:108]6[C@H:54]([N:126]=[C:31]([CH3:7])[OH:146])[C@@H:71]([OH:163])[C@H:92]([O:208][C@H:117]7[C@H:87]([OH:179])[C@@H:99]([O:213][C@@H:113]8[C@H:82]([OH:174])[C@@H:76]([OH:168])[C@@H:59]([OH:151])[C@@H:35]([CH2:11][OH:130])[O:190]8)[C@@H:64]([OH:156])[C@@H:39]([CH2:15][OH:134])[O:194]7)[C@@H:44]([CH2:20][OH:139])[O:199]6)[C@@H:83]([OH:175])[C@H:94]([O:203][C@H:105]6[C@H:51]([N:123]=[C:28]([CH3:4])[OH:143])[C@@H:68]([OH:160])[C@H:90]([O:206][C@H:115]7[C@H:85]([OH:177])[C@@H:97]([O:211][C@@H:111]8[C@H:80]([OH:172])[C@@H:74]([OH:166])[C@@H:57]([OH:149])[C@@H:33]([CH2:9][OH:128])[O:188]8)[C@@H:62]([OH:154])[C@@H:37]([CH2:13][OH:132])[O:192]7)[C@@H:41]([CH2:17][OH:136])[O:196]6)[C@@H:45]([CH2:21][OH:140])[O:200]5)[C@H:65]([OH:157])[C@@H:47]([CH2:23][O:184][C@@H:119]5[C@@H:101]([O:215][C@H:107]6[C@H:53]([N:125]=[C:30]([CH3:6])[OH:145])[C@@H:70]([OH:162])[C@H:91]([O:207][C@H:116]7[C@H:86]([OH:178])[C@@H:98]([O:212][C@@H:112]8[C@H:81]([OH:173])[C@@H:75]([OH:167])[C@@H:58]([OH:150])[C@@H:34]([CH2:10][OH:129])[O:189]8)[C@@H:63]([OH:155])[C@@H:38]([CH2:14][OH:133])[O:193]7)[C@@H:43]([CH2:19][OH:138])[O:198]6)[C@@H:77]([OH:169])[C@H:60]([OH:152])[C@@H:46]([CH2:22][O:182][C@H:104]6[C@H:50]([N:122]=[C:27]([CH3:3])[OH:142])[C@@H:67]([OH:159])[C@H:89]([O:205][C@H:114]7[C@H:84]([OH:176])[C@@H:96]([O:210][C@@H:110]8[C@H:79]([OH:171])[C@@H:73]([OH:165])[C@@H:56]([OH:148])[C@@H:32]([CH2:8][OH:127])[O:187]8)[C@@H:61]([OH:153])[C@@H:36]([CH2:12][OH:131])[O:191]7)[C@@H:40]([CH2:16][OH:135])[O:195]6)[O:202]5)[O:201]4)[C@@H:42]([CH2:18][OH:137])[O:197]3)[C@H:66]([OH:158])[C@@H:49]([N:121]=[C:26]([CH3:2])[OH:141])[C@H:103]([OH:181])[O:186]2)[O:185]1 |
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