| Properties | Image |
|---|
| MNX_ID | MNXM1112668 |
 |
| reference | chebi:146611 |
| formula | C109H178N8O80 |
| global charge | 0 |
| mol weight | 2880.599 |
| InChIKey | RNUXQKAJTCZDAU-AKUNYRTQSA-N |
| InChI | InChI=1S/C109H178N8O80/c1-26(129)110-51-34(137)9-107(104(165)166,194-86(51)59(143)37(140)12-118)172-24-49-64(148)72(156)76(160)98(183-49)187-81-43(18-124)179-96(57(69(81)153)116-32(7)135)192-90-74(158)62(146)40(15-121)175-101(90)171-23-48-66(150)89(79(163)100(182-48)189-83-45(20-126)177-94(55(68(83)152)114-30(5)133)185-80-42(17-123)174-93(164)54(67(80)151)113-29(4)132)191-102-91(193-97-58(117-33(8)136)70(154)82(44(19-125)180-97)188-99-77(161)73(157)65(149)50(184-99)25-173-108(105(167)168)10-35(138)52(111-27(2)130)87(195-108)60(144)38(141)13-119)78(162)85(47(22-128)181-102)186-95-56(115-31(6)134)71(155)84(46(21-127)178-95)190-103-92(75(159)63(147)41(16-122)176-103)197-109(106(169)170)11-36(139)53(112-28(3)131)88(196-109)61(145)39(142)14-120/h34-103,118-128,137-164H,9-25H2,1-8H3,(H,110,129)(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,165,166)(H,167,168)(H,169,170)/t34-,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-,107+,108+,109-/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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[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)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C109H178N8O80/c1-26(129)110-51-34(137)9-107(104(165)166,194-86(51)59(143)37(140)12-118)172-24-49-64(148)72(156)76(160)98(183-49)187-81-43(18-124)179-96(57(69(81)153)116-32(7)135)192-90-74(158)62(146)40(15-121)175-101(90)171-23-48-66(150)89(79(163)100(182-48)189-83-45(20-126)177-94(55(68(83)152)114-30(5)133)185-80-42(17-123)174-93(164)54(67(80)151)113-29(4)132)191-102-91(193-97-58(117-33(8)136)70(154)82(44(19-125)180-97)188-99-77(161)73(157)65(149)50(184-99)25-173-108(105(167)168)10-35(138)52(111-27(2)130)87(195-108)60(144)38(141)13-119)78(162)85(47(22-128)181-102)186-95-56(115-31(6)134)71(155)84(46(21-127)178-95)190-103-92(75(159)63(147)41(16-122)176-103)197-109(106(169)170)11-36(139)53(112-28(3)131)88(196-109)61(145)39(142)14-120/h34-103,118-128,137-164H,9-25H2,1-8H3,(H,110,129)(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,165,166)(H,167,168)(H,169,170)/t34-,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-,107+,108+,109-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:26](=[N:110][C@@H:51]1[C@@H:34]([OH:137])[CH2:9][C@@:107]([C:104](=[O:165])[OH:166])([O:172][CH2:24][C@@H:49]2[C@H:64]([OH:148])[C@H:72]([OH:156])[C@@H:76]([OH:160])[C@H:98]([O:187][C@@H:81]3[C@@H:43]([CH2:18][OH:124])[O:179][C@@H:96]([O:192][C@H:90]4[C@@H:74]([OH:158])[C@H:62]([OH:146])[C@@H:40]([CH2:15][OH:121])[O:175][C@@H:101]4[O:171][CH2:23][C@@H:48]4[C@@H:66]([OH:150])[C@H:89]([O:191][C@@H:102]5[C@@H:91]([O:193][C@H:97]6[C@H:58]([N:117]=[C:33]([CH3:8])[OH:136])[C@@H:70]([OH:154])[C@H:82]([O:188][C@H:99]7[C@H:77]([OH:161])[C@@H:73]([OH:157])[C@@H:65]([OH:149])[C@@H:50]([CH2:25][O:173][C@:108]8([C:105](=[O:167])[OH:168])[CH2:10][C@H:35]([OH:138])[C@@H:52]([N:111]=[C:27]([CH3:2])[OH:130])[C@H:87]([C@@H:60]([C@@H:38]([CH2:13][OH:119])[OH:141])[OH:144])[O:195]8)[O:184]7)[C@@H:44]([CH2:19][OH:125])[O:180]6)[C@@H:78]([OH:162])[C@H:85]([O:186][C@H:95]6[C@H:56]([N:115]=[C:31]([CH3:6])[OH:134])[C@@H:71]([OH:155])[C@H:84]([O:190][C@H:103]7[C@H:92]([O:197][C@:109]8([C:106](=[O:169])[OH:170])[CH2:11][C@H:36]([OH:139])[C@@H:53]([N:112]=[C:28]([CH3:3])[OH:131])[C@H:88]([C@@H:61]([C@@H:39]([CH2:14][OH:120])[OH:142])[OH:145])[O:196]8)[C@@H:75]([OH:159])[C@@H:63]([OH:147])[C@@H:41]([CH2:16][OH:122])[O:176]7)[C@@H:46]([CH2:21][OH:127])[O:178]6)[C@@H:47]([CH2:22][OH:128])[O:181]5)[C@H:79]([OH:163])[C@H:100]([O:189][C@@H:83]5[C@@H:45]([CH2:20][OH:126])[O:177][C@@H:94]([O:185][C@@H:80]6[C@@H:42]([CH2:17][OH:123])[O:174][C@@H:93]([OH:164])[C@H:54]([N:113]=[C:29]([CH3:4])[OH:132])[C@H:67]6[OH:151])[C@H:55]([N:114]=[C:30]([CH3:5])[OH:133])[C@H:68]5[OH:152])[O:182]4)[C@H:57]([N:116]=[C:32]([CH3:7])[OH:135])[C@H:69]3[OH:153])[O:183]2)[O:194][C@H:86]1[C@@H:59]([C@@H:37]([CH2:12][OH:118])[OH:140])[OH:143])[OH:129] |
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