| Properties | Image |
|---|
| MNX_ID | MNXM1112836 |
 |
| reference | chebi:146837 |
| formula | C104H171N7O77 |
| global charge | 0 |
| mol weight | 2751.484 |
| InChIKey | KBCPVGCEJZSWQX-NLNDWJACSA-N |
| InChI | InChI=1S/C104H171N7O77/c1-24-54(135)68(149)71(152)94(164-24)162-23-45-80(63(144)49(89(157)165-45)106-26(3)125)176-90-50(107-27(4)126)64(145)77(40(17-119)171-90)178-96-73(154)84(182-100-88(70(151)58(139)36(13-115)170-100)184-93-53(110-30(7)129)67(148)79(43(20-122)174-93)180-98-75(156)86(61(142)39(16-118)168-98)188-104(102(160)161)9-32(131)48(111-46(134)21-123)82(186-104)56(137)34(133)11-113)62(143)44(175-96)22-163-99-87(69(150)57(138)35(12-114)169-99)183-92-52(109-29(6)128)66(147)76(42(19-121)173-92)177-95-72(153)83(59(140)37(14-116)166-95)181-91-51(108-28(5)127)65(146)78(41(18-120)172-91)179-97-74(155)85(60(141)38(15-117)167-97)187-103(101(158)159)8-31(130)47(105-25(2)124)81(185-103)55(136)33(132)10-112/h24,31-45,47-100,112-123,130-133,135-157H,8-23H2,1-7H3,(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,134)(H,158,159)(H,160,161)/t24-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,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+,103-,104-/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](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]7O[C@H](CO)[C@H](O)[C@H](O[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O8)[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]4O[C@H](CO)[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@]6(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O6)[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/C104H171N7O77/c1-24-54(135)68(149)71(152)94(164-24)162-23-45-80(63(144)49(89(157)165-45)106-26(3)125)176-90-50(107-27(4)126)64(145)77(40(17-119)171-90)178-96-73(154)84(182-100-88(70(151)58(139)36(13-115)170-100)184-93-53(110-30(7)129)67(148)79(43(20-122)174-93)180-98-75(156)86(61(142)39(16-118)168-98)188-104(102(160)161)9-32(131)48(111-46(134)21-123)82(186-104)56(137)34(133)11-113)62(143)44(175-96)22-163-99-87(69(150)57(138)35(12-114)169-99)183-92-52(109-29(6)128)66(147)76(42(19-121)173-92)177-95-72(153)83(59(140)37(14-116)166-95)181-91-51(108-28(5)127)65(146)78(41(18-120)172-91)179-97-74(155)85(60(141)38(15-117)167-97)187-103(101(158)159)8-31(130)47(105-25(2)124)81(185-103)55(136)33(132)10-112/h24,31-45,47-100,112-123,130-133,135-157H,8-23H2,1-7H3,(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,134)(H,158,159)(H,160,161)/t24-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,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+,103-,104-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:24]1[C@@H:54]([OH:135])[C@@H:68]([OH:149])[C@H:71]([OH:152])[C@H:94]([O:162][CH2:23][C@@H:45]2[C@@H:80]([O:176][C@H:90]3[C@H:50]([N:107]=[C:27]([CH3:4])[OH:126])[C@@H:64]([OH:145])[C@H:77]([O:178][C@H:96]4[C@@H:73]([OH:154])[C@@H:84]([O:182][C@@H:100]5[C@@H:88]([O:184][C@H:93]6[C@H:53]([N:110]=[C:30]([CH3:7])[OH:129])[C@@H:67]([OH:148])[C@H:79]([O:180][C@H:98]7[C@H:75]([OH:156])[C@@H:86]([O:188][C@:104]8([C:102](=[O:160])[OH:161])[CH2:9][C@H:32]([OH:131])[C@@H:48]([N:111]=[C:46]([CH2:21][OH:123])[OH:134])[C@H:82]([C@@H:56]([C@@H:34]([CH2:11][OH:113])[OH:133])[OH:137])[O:186]8)[C@@H:61]([OH:142])[C@@H:39]([CH2:16][OH:118])[O:168]7)[C@@H:43]([CH2:20][OH:122])[O:174]6)[C@@H:70]([OH:151])[C@H:58]([OH:139])[C@@H:36]([CH2:13][OH:115])[O:170]5)[C@H:62]([OH:143])[C@@H:44]([CH2:22][O:163][C@@H:99]5[C@@H:87]([O:183][C@H:92]6[C@H:52]([N:109]=[C:29]([CH3:6])[OH:128])[C@@H:66]([OH:147])[C@H:76]([O:177][C@H:95]7[C@H:72]([OH:153])[C@@H:83]([O:181][C@H:91]8[C@H:51]([N:108]=[C:28]([CH3:5])[OH:127])[C@@H:65]([OH:146])[C@H:78]([O:179][C@H:97]9[C@H:74]([OH:155])[C@@H:85]([O:187][C@:103]%10([C:101](=[O:158])[OH:159])[CH2:8][C@H:31]([OH:130])[C@@H:47]([N:105]=[C:25]([CH3:2])[OH:124])[C@H:81]([C@@H:55]([C@@H:33]([CH2:10][OH:112])[OH:132])[OH:136])[O:185]%10)[C@@H:60]([OH:141])[C@@H:38]([CH2:15][OH:117])[O:167]9)[C@@H:41]([CH2:18][OH:120])[O:172]8)[C@@H:59]([OH:140])[C@@H:37]([CH2:14][OH:116])[O:166]7)[C@@H:42]([CH2:19][OH:121])[O:173]6)[C@@H:69]([OH:150])[C@H:57]([OH:138])[C@@H:35]([CH2:12][OH:114])[O:169]5)[O:175]4)[C@@H:40]([CH2:17][OH:119])[O:171]3)[C@H:63]([OH:144])[C@@H:49]([N:106]=[C:26]([CH3:3])[OH:125])[C@H:89]([OH:157])[O:165]2)[O:164]1 |
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