| Properties | Image |
|---|
| MNX_ID | MNXM1113438 |
 |
| reference | chebi:147725 |
| formula | C109H180N8O80 |
| global charge | 0 |
| mol weight | 2882.615 |
| InChIKey | ZDCKQEOMEMATMK-OXHBKXGCSA-N |
| InChI | InChI=1S/C109H180N8O80/c1-27(130)110-35(12-118)60(145)81(42(144)16-122)185-94-56(114-31(5)134)70(155)84(48(22-128)178-94)189-100-79(164)90(69(154)50(182-100)24-172-102-92(75(160)64(149)43(17-123)177-102)192-95-57(115-32(6)135)71(156)82(46(20-126)179-95)187-98-76(161)73(158)65(150)51(183-98)25-173-107(104(166)167)9-36(138)53(111-28(2)131)87(194-107)61(146)39(141)13-119)191-103-93(193-96-58(116-33(7)136)72(157)83(47(21-127)180-96)188-99-77(162)74(159)66(151)52(184-99)26-174-108(105(168)169)10-37(139)54(112-29(3)132)88(195-108)62(147)40(142)14-120)78(163)85(49(23-129)181-103)186-97-59(117-34(8)137)86(67(152)44(18-124)175-97)190-101-80(165)91(68(153)45(19-125)176-101)197-109(106(170)171)11-38(140)55(113-30(4)133)89(196-109)63(148)41(143)15-121/h35-103,118-129,138-165H,9-26H2,1-8H3,(H,110,130)(H,111,131)(H,112,132)(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,166,167)(H,168,169)(H,170,171)/t35-,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]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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](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(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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/C109H180N8O80/c1-27(130)110-35(12-118)60(145)81(42(144)16-122)185-94-56(114-31(5)134)70(155)84(48(22-128)178-94)189-100-79(164)90(69(154)50(182-100)24-172-102-92(75(160)64(149)43(17-123)177-102)192-95-57(115-32(6)135)71(156)82(46(20-126)179-95)187-98-76(161)73(158)65(150)51(183-98)25-173-107(104(166)167)9-36(138)53(111-28(2)131)87(194-107)61(146)39(141)13-119)191-103-93(193-96-58(116-33(7)136)72(157)83(47(21-127)180-96)188-99-77(162)74(159)66(151)52(184-99)26-174-108(105(168)169)10-37(139)54(112-29(3)132)88(195-108)62(147)40(142)14-120)78(163)85(49(23-129)181-103)186-97-59(117-34(8)137)86(67(152)44(18-124)175-97)190-101-80(165)91(68(153)45(19-125)176-101)197-109(106(170)171)11-38(140)55(113-30(4)133)89(196-109)63(148)41(143)15-121/h35-103,118-129,138-165H,9-26H2,1-8H3,(H,110,130)(H,111,131)(H,112,132)(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,166,167)(H,168,169)(H,170,171)/t35-,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:27](=[N:110][C@@H:35]([CH2:12][OH:118])[C@H:60]([C@@H:81]([C@@H:42]([CH2:16][OH:122])[OH:144])[O:185][C@H:94]1[C@H:56]([N:114]=[C:31]([CH3:5])[OH:134])[C@@H:70]([OH:155])[C@H:84]([O:189][C@H:100]2[C@@H:79]([OH:164])[C@@H:90]([O:191][C@@H:103]3[C@@H:93]([O:193][C@H:96]4[C@H:58]([N:116]=[C:33]([CH3:7])[OH:136])[C@@H:72]([OH:157])[C@H:83]([O:188][C@H:99]5[C@H:77]([OH:162])[C@@H:74]([OH:159])[C@@H:66]([OH:151])[C@@H:52]([CH2:26][O:174][C@:108]6([C:105](=[O:168])[OH:169])[CH2:10][C@H:37]([OH:139])[C@@H:54]([N:112]=[C:29]([CH3:3])[OH:132])[C@H:88]([C@@H:62]([C@@H:40]([CH2:14][OH:120])[OH:142])[OH:147])[O:195]6)[O:184]5)[C@@H:47]([CH2:21][OH:127])[O:180]4)[C@@H:78]([OH:163])[C@H:85]([O:186][C@H:97]4[C@H:59]([N:117]=[C:34]([CH3:8])[OH:137])[C@@H:86]([O:190][C@H:101]5[C@H:80]([OH:165])[C@@H:91]([O:197][C@:109]6([C:106](=[O:170])[OH:171])[CH2:11][C@H:38]([OH:140])[C@@H:55]([N:113]=[C:30]([CH3:4])[OH:133])[C@H:89]([C@@H:63]([C@@H:41]([CH2:15][OH:121])[OH:143])[OH:148])[O:196]6)[C@@H:68]([OH:153])[C@@H:45]([CH2:19][OH:125])[O:176]5)[C@H:67]([OH:152])[C@@H:44]([CH2:18][OH:124])[O:175]4)[C@@H:49]([CH2:23][OH:129])[O:181]3)[C@H:69]([OH:154])[C@@H:50]([CH2:24][O:172][C@@H:102]3[C@@H:92]([O:192][C@H:95]4[C@H:57]([N:115]=[C:32]([CH3:6])[OH:135])[C@@H:71]([OH:156])[C@H:82]([O:187][C@H:98]5[C@H:76]([OH:161])[C@@H:73]([OH:158])[C@@H:65]([OH:150])[C@@H:51]([CH2:25][O:173][C@:107]6([C:104](=[O:166])[OH:167])[CH2:9][C@H:36]([OH:138])[C@@H:53]([N:111]=[C:28]([CH3:2])[OH:131])[C@H:87]([C@@H:61]([C@@H:39]([CH2:13][OH:119])[OH:141])[OH:146])[O:194]6)[O:183]5)[C@@H:46]([CH2:20][OH:126])[O:179]4)[C@@H:75]([OH:160])[C@H:64]([OH:149])[C@@H:43]([CH2:17][OH:123])[O:177]3)[O:182]2)[C@@H:48]([CH2:22][OH:128])[O:178]1)[OH:145])[OH:130] |
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