| Properties | Image |
|---|
| MNX_ID | MNXM1113314 |
 |
| reference | chebi:147564 |
| formula | C110H183N7O81 |
| global charge | 0 |
| mol weight | 2899.642 |
| InChIKey | NQVHXCIKMQNFIX-XLEDPBSOSA-N |
| InChI | InChI=1S/C110H183N7O81/c1-24(133)111-47-63(149)81(39(16-126)169-95(47)167)187-108-80(166)92(196-110-94(73(159)57(143)34(11-121)177-110)198-101-53(117-30(7)139)69(155)87(45(22-132)183-101)191-107-79(165)91(61(147)38(15-125)175-107)195-99-51(115-28(5)137)67(153)85(43(20-130)181-99)189-105-77(163)89(59(145)36(13-123)173-105)193-97-49(113-26(3)135)65(151)83(41(18-128)179-97)186-103-75(161)71(157)55(141)32(9-119)171-103)62(148)46(184-108)23-168-109-93(72(158)56(142)33(10-120)176-109)197-100-52(116-29(6)138)68(154)86(44(21-131)182-100)190-106-78(164)90(60(146)37(14-124)174-106)194-98-50(114-27(4)136)66(152)84(42(19-129)180-98)188-104-76(162)88(58(144)35(12-122)172-104)192-96-48(112-25(2)134)64(150)82(40(17-127)178-96)185-102-74(160)70(156)54(140)31(8-118)170-102/h31-110,118-132,140-167H,8-23H2,1-7H3,(H,111,133)(H,112,134)(H,113,135)(H,114,136)(H,115,137)(H,116,138)(H,117,139)/t31-,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-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]6[C@@H](OC[C@H]7O[C@@H](O[C@H]8[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]8CO)[C@@H](O)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]8O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O[C@@H]%12O[C@H](CO)[C@@H](O[C@@H]%13O[C@H](CO)[C@H](O)[C@H](O)[C@H]%13O)[C@H](O)[C@H]%12NC(C)=O)[C@H]%11O)[C@H](O)[C@H]%10NC(C)=O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@@H]7O)O[C@H](CO)[C@@H](O)[C@@H]6O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C110H183N7O81/c1-24(133)111-47-63(149)81(39(16-126)169-95(47)167)187-108-80(166)92(196-110-94(73(159)57(143)34(11-121)177-110)198-101-53(117-30(7)139)69(155)87(45(22-132)183-101)191-107-79(165)91(61(147)38(15-125)175-107)195-99-51(115-28(5)137)67(153)85(43(20-130)181-99)189-105-77(163)89(59(145)36(13-123)173-105)193-97-49(113-26(3)135)65(151)83(41(18-128)179-97)186-103-75(161)71(157)55(141)32(9-119)171-103)62(148)46(184-108)23-168-109-93(72(158)56(142)33(10-120)176-109)197-100-52(116-29(6)138)68(154)86(44(21-131)182-100)190-106-78(164)90(60(146)37(14-124)174-106)194-98-50(114-27(4)136)66(152)84(42(19-129)180-98)188-104-76(162)88(58(144)35(12-122)172-104)192-96-48(112-25(2)134)64(150)82(40(17-127)178-96)185-102-74(160)70(156)54(140)31(8-118)170-102/h31-110,118-132,140-167H,8-23H2,1-7H3,(H,111,133)(H,112,134)(H,113,135)(H,114,136)(H,115,137)(H,116,138)(H,117,139)/t31-,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-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24](=[N:111][C@@H:47]1[C@@H:63]([OH:149])[C@H:81]([O:187][C@H:108]2[C@@H:80]([OH:166])[C@@H:92]([O:196][C@@H:110]3[C@@H:94]([O:198][C@H:101]4[C@H:53]([N:117]=[C:30]([CH3:7])[OH:139])[C@@H:69]([OH:155])[C@H:87]([O:191][C@H:107]5[C@H:79]([OH:165])[C@@H:91]([O:195][C@H:99]6[C@H:51]([N:115]=[C:28]([CH3:5])[OH:137])[C@@H:67]([OH:153])[C@H:85]([O:189][C@H:105]7[C@H:77]([OH:163])[C@@H:89]([O:193][C@H:97]8[C@H:49]([N:113]=[C:26]([CH3:3])[OH:135])[C@@H:65]([OH:151])[C@H:83]([O:186][C@H:103]9[C@H:75]([OH:161])[C@@H:71]([OH:157])[C@@H:55]([OH:141])[C@@H:32]([CH2:9][OH:119])[O:171]9)[C@@H:41]([CH2:18][OH:128])[O:179]8)[C@@H:59]([OH:145])[C@@H:36]([CH2:13][OH:123])[O:173]7)[C@@H:43]([CH2:20][OH:130])[O:181]6)[C@@H:61]([OH:147])[C@@H:38]([CH2:15][OH:125])[O:175]5)[C@@H:45]([CH2:22][OH:132])[O:183]4)[C@@H:73]([OH:159])[C@H:57]([OH:143])[C@@H:34]([CH2:11][OH:121])[O:177]3)[C@H:62]([OH:148])[C@@H:46]([CH2:23][O:168][C@@H:109]3[C@@H:93]([O:197][C@H:100]4[C@H:52]([N:116]=[C:29]([CH3:6])[OH:138])[C@@H:68]([OH:154])[C@H:86]([O:190][C@H:106]5[C@H:78]([OH:164])[C@@H:90]([O:194][C@H:98]6[C@H:50]([N:114]=[C:27]([CH3:4])[OH:136])[C@@H:66]([OH:152])[C@H:84]([O:188][C@H:104]7[C@H:76]([OH:162])[C@@H:88]([O:192][C@H:96]8[C@H:48]([N:112]=[C:25]([CH3:2])[OH:134])[C@@H:64]([OH:150])[C@H:82]([O:185][C@H:102]9[C@H:74]([OH:160])[C@@H:70]([OH:156])[C@@H:54]([OH:140])[C@@H:31]([CH2:8][OH:118])[O:170]9)[C@@H:40]([CH2:17][OH:127])[O:178]8)[C@@H:58]([OH:144])[C@@H:35]([CH2:12][OH:122])[O:172]7)[C@@H:42]([CH2:19][OH:129])[O:180]6)[C@@H:60]([OH:146])[C@@H:37]([CH2:14][OH:124])[O:174]5)[C@@H:44]([CH2:21][OH:131])[O:182]4)[C@@H:72]([OH:158])[C@H:56]([OH:142])[C@@H:33]([CH2:10][OH:120])[O:176]3)[O:184]2)[C@@H:39]([CH2:16][OH:126])[O:169][CH:95]1[OH:167])[OH:133] |
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