| Properties | Image |
|---|
| MNX_ID | MNXM1113301 |
 |
| reference | chebi:147548 |
| formula | C110H183N7O80 |
| global charge | 0 |
| mol weight | 2883.643 |
| InChIKey | KMVJCDFGJZGFRY-JWOHPFRUSA-N |
| InChI | InChI=1S/C110H183N7O80/c1-24-54(137)69(152)75(158)102(170-24)168-23-46-90(62(145)47(95(166)171-46)111-25(2)130)187-98-50(114-28(5)133)65(148)88(42(19-128)179-98)193-108-82(165)92(195-110-94(197-101-53(117-31(8)136)68(151)87(41(18-127)182-101)191-106-79(162)73(156)58(141)35(12-121)175-106)80(163)89(43(20-129)183-110)186-97-49(113-27(4)132)64(147)84(38(15-124)178-97)188-103-76(159)70(153)55(138)32(9-118)172-103)61(144)45(184-108)22-169-109-93(196-100-52(116-30(7)135)67(150)86(40(17-126)181-100)190-105-78(161)72(155)57(140)34(11-120)174-105)74(157)59(142)44(185-109)21-167-96-48(112-26(3)131)63(146)83(37(14-123)177-96)192-107-81(164)91(60(143)36(13-122)176-107)194-99-51(115-29(6)134)66(149)85(39(16-125)180-99)189-104-77(160)71(154)56(139)33(10-119)173-104/h24,32-110,118-129,137-166H,9-23H2,1-8H3,(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)/t24-,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+/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO[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]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]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[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]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]5O)[C@H](O)[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]3NC(C)=O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C110H183N7O80/c1-24-54(137)69(152)75(158)102(170-24)168-23-46-90(62(145)47(95(166)171-46)111-25(2)130)187-98-50(114-28(5)133)65(148)88(42(19-128)179-98)193-108-82(165)92(195-110-94(197-101-53(117-31(8)136)68(151)87(41(18-127)182-101)191-106-79(162)73(156)58(141)35(12-121)175-106)80(163)89(43(20-129)183-110)186-97-49(113-27(4)132)64(147)84(38(15-124)178-97)188-103-76(159)70(153)55(138)32(9-118)172-103)61(144)45(184-108)22-169-109-93(196-100-52(116-30(7)135)67(150)86(40(17-126)181-100)190-105-78(161)72(155)57(140)34(11-120)174-105)74(157)59(142)44(185-109)21-167-96-48(112-26(3)131)63(146)83(37(14-123)177-96)192-107-81(164)91(60(143)36(13-122)176-107)194-99-51(115-29(6)134)66(149)85(39(16-125)180-99)189-104-77(160)71(154)56(139)33(10-119)173-104/h24,32-110,118-129,137-166H,9-23H2,1-8H3,(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)/t24-,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+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:24]1[C@@H:54]([OH:137])[C@@H:69]([OH:152])[C@H:75]([OH:158])[C@H:102]([O:168][CH2:23][C@@H:46]2[C@@H:90]([O:187][C@H:98]3[C@H:50]([N:114]=[C:28]([CH3:5])[OH:133])[C@@H:65]([OH:148])[C@H:88]([O:193][C@H:108]4[C@@H:82]([OH:165])[C@@H:92]([O:195][C@@H:110]5[C@@H:94]([O:197][C@H:101]6[C@H:53]([N:117]=[C:31]([CH3:8])[OH:136])[C@@H:68]([OH:151])[C@H:87]([O:191][C@H:106]7[C@H:79]([OH:162])[C@@H:73]([OH:156])[C@@H:58]([OH:141])[C@@H:35]([CH2:12][OH:121])[O:175]7)[C@@H:41]([CH2:18][OH:127])[O:182]6)[C@@H:80]([OH:163])[C@H:89]([O:186][C@H:97]6[C@H:49]([N:113]=[C:27]([CH3:4])[OH:132])[C@@H:64]([OH:147])[C@H:84]([O:188][C@H:103]7[C@H:76]([OH:159])[C@@H:70]([OH:153])[C@@H:55]([OH:138])[C@@H:32]([CH2:9][OH:118])[O:172]7)[C@@H:38]([CH2:15][OH:124])[O:178]6)[C@@H:43]([CH2:20][OH:129])[O:183]5)[C@H:61]([OH:144])[C@@H:45]([CH2:22][O:169][C@@H:109]5[C@@H:93]([O:196][C@H:100]6[C@H:52]([N:116]=[C:30]([CH3:7])[OH:135])[C@@H:67]([OH:150])[C@H:86]([O:190][C@H:105]7[C@H:78]([OH:161])[C@@H:72]([OH:155])[C@@H:57]([OH:140])[C@@H:34]([CH2:11][OH:120])[O:174]7)[C@@H:40]([CH2:17][OH:126])[O:181]6)[C@@H:74]([OH:157])[C@H:59]([OH:142])[C@@H:44]([CH2:21][O:167][C@H:96]6[C@H:48]([N:112]=[C:26]([CH3:3])[OH:131])[C@@H:63]([OH:146])[C@H:83]([O:192][C@H:107]7[C@H:81]([OH:164])[C@@H:91]([O:194][C@H:99]8[C@H:51]([N:115]=[C:29]([CH3:6])[OH:134])[C@@H:66]([OH:149])[C@H:85]([O:189][C@H:104]9[C@H:77]([OH:160])[C@@H:71]([OH:154])[C@@H:56]([OH:139])[C@@H:33]([CH2:10][OH:119])[O:173]9)[C@@H:39]([CH2:16][OH:125])[O:180]8)[C@@H:60]([OH:143])[C@@H:36]([CH2:13][OH:122])[O:176]7)[C@@H:37]([CH2:14][OH:123])[O:177]6)[O:185]5)[O:184]4)[C@@H:42]([CH2:19][OH:128])[O:179]3)[C@H:62]([OH:145])[C@@H:47]([N:111]=[C:25]([CH3:2])[OH:130])[CH:95]([OH:166])[O:171]2)[O:170]1 |
|