| Properties | Image |
|---|
| MNX_ID | MNXM151661 |
 |
| reference | chebi:75237 |
| formula | C120H192N10O81 |
| global charge | 0 |
| mol weight | 3070.845 |
| InChIKey | NENONXIRSLBESH-XPXNXBEHSA-N |
| InChI | InChI=1S/C120H192N10O81/c1-11-61(152)121-71-41(141)21-111(192,101(172)173)202-92(71)82(163)52(32-132)193-113(103(176)177)23-43(143)73(123-63(154)13-3)94(204-113)84(165)54(34-134)195-115(105(180)181)25-45(145)75(125-65(156)15-5)96(206-115)86(167)56(36-136)197-117(107(184)185)27-47(147)77(127-67(158)17-7)98(208-117)88(169)58(38-138)199-119(109(188)189)29-49(149)79(129-69(160)19-9)100(210-119)90(171)60(40-140)201-120(110(190)191)30-50(150)80(130-70(161)20-10)99(211-120)89(170)59(39-139)200-118(108(186)187)28-48(148)78(128-68(159)18-8)97(209-118)87(168)57(37-137)198-116(106(182)183)26-46(146)76(126-66(157)16-6)95(207-116)85(166)55(35-135)196-114(104(178)179)24-44(144)74(124-64(155)14-4)93(205-114)83(164)53(33-133)194-112(102(174)175)22-42(142)72(122-62(153)12-2)91(203-112)81(162)51(151)31-131/h41-60,71-100,131-151,162-171,192H,11-40H2,1-10H3,(H,121,152)(H,122,153)(H,123,154)(H,124,155)(H,125,156)(H,126,157)(H,127,158)(H,128,159)(H,129,160)(H,130,161)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,190,191)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,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+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+/m0/s1 |
| SMILES | CCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@@H]2O[C@@](O[C@H](CO)[C@@H](O)[C@@H]3O[C@@](O[C@H](CO)[C@@H](O)[C@@H]4O[C@@](O[C@H](CO)[C@@H](O)[C@@H]5O[C@@](O[C@H](CO)[C@@H](O)[C@@H]6O[C@@](O[C@H](CO)[C@@H](O)[C@@H]7O[C@@](O[C@H](CO)[C@@H](O)[C@@H]8O[C@@](O[C@H](CO)[C@@H](O)[C@@H]9O[C@@](O[C@H](CO)[C@@H](O)[C@@H]%10O[C@@](O)(C(=O)O)C[C@H](O)[C@H]%10NC(=O)CC)(C(=O)O)C[C@H](O)[C@H]9NC(=O)CC)(C(=O)O)C[C@H](O)[C@H]8NC(=O)CC)(C(=O)O)C[C@H](O)[C@H]7NC(=O)CC)(C(=O)O)C[C@H](O)[C@H]6NC(=O)CC)(C(=O)O)C[C@H](O)[C@H]5NC(=O)CC)(C(=O)O)C[C@H](O)[C@H]4NC(=O)CC)(C(=O)O)C[C@H](O)[C@H]3NC(=O)CC)(C(=O)O)C[C@H](O)[C@H]2NC(=O)CC)(C(=O)O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C120H192N10O81/c1-11-61(152)121-71-41(141)21-111(192,101(172)173)202-92(71)82(163)52(32-132)193-113(103(176)177)23-43(143)73(123-63(154)13-3)94(204-113)84(165)54(34-134)195-115(105(180)181)25-45(145)75(125-65(156)15-5)96(206-115)86(167)56(36-136)197-117(107(184)185)27-47(147)77(127-67(158)17-7)98(208-117)88(169)58(38-138)199-119(109(188)189)29-49(149)79(129-69(160)19-9)100(210-119)90(171)60(40-140)201-120(110(190)191)30-50(150)80(130-70(161)20-10)99(211-120)89(170)59(39-139)200-118(108(186)187)28-48(148)78(128-68(159)18-8)97(209-118)87(168)57(37-137)198-116(106(182)183)26-46(146)76(126-66(157)16-6)95(207-116)85(166)55(35-135)196-114(104(178)179)24-44(144)74(124-64(155)14-4)93(205-114)83(164)53(33-133)194-112(102(174)175)22-42(142)72(122-62(153)12-2)91(203-112)81(162)51(151)31-131/h41-60,71-100,131-151,162-171,192H,11-40H2,1-10H3,(H,121,152)(H,122,153)(H,123,154)(H,124,155)(H,125,156)(H,126,157)(H,127,158)(H,128,159)(H,129,160)(H,130,161)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,190,191)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,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+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:11][C:61](=[N:121][C@@H:71]1[C@@H:41]([OH:141])[CH2:21][C@@:111]([C:101](=[O:172])[OH:173])([OH:192])[O:202][C@H:92]1[C@@H:82]([C@@H:52]([CH2:32][OH:132])[O:193][C@:113]1([C:103](=[O:176])[OH:177])[CH2:23][C@H:43]([OH:143])[C@@H:73]([N:123]=[C:63]([CH2:13][CH3:3])[OH:154])[C@H:94]([C@@H:84]([C@@H:54]([CH2:34][OH:134])[O:195][C@:115]2([C:105](=[O:180])[OH:181])[CH2:25][C@H:45]([OH:145])[C@@H:75]([N:125]=[C:65]([CH2:15][CH3:5])[OH:156])[C@H:96]([C@@H:86]([C@@H:56]([CH2:36][OH:136])[O:197][C@:117]3([C:107](=[O:184])[OH:185])[CH2:27][C@H:47]([OH:147])[C@@H:77]([N:127]=[C:67]([CH2:17][CH3:7])[OH:158])[C@H:98]([C@@H:88]([C@@H:58]([CH2:38][OH:138])[O:199][C@:119]4([C:109](=[O:188])[OH:189])[CH2:29][C@H:49]([OH:149])[C@@H:79]([N:129]=[C:69]([CH2:19][CH3:9])[OH:160])[C@H:100]([C@@H:90]([C@@H:60]([CH2:40][OH:140])[O:201][C@:120]5([C:110](=[O:190])[OH:191])[CH2:30][C@H:50]([OH:150])[C@@H:80]([N:130]=[C:70]([CH2:20][CH3:10])[OH:161])[C@H:99]([C@@H:89]([C@@H:59]([CH2:39][OH:139])[O:200][C@:118]6([C:108](=[O:186])[OH:187])[CH2:28][C@H:48]([OH:148])[C@@H:78]([N:128]=[C:68]([CH2:18][CH3:8])[OH:159])[C@H:97]([C@@H:87]([C@@H:57]([CH2:37][OH:137])[O:198][C@:116]7([C:106](=[O:182])[OH:183])[CH2:26][C@H:46]([OH:146])[C@@H:76]([N:126]=[C:66]([CH2:16][CH3:6])[OH:157])[C@H:95]([C@@H:85]([C@@H:55]([CH2:35][OH:135])[O:196][C@:114]8([C:104](=[O:178])[OH:179])[CH2:24][C@H:44]([OH:144])[C@@H:74]([N:124]=[C:64]([CH2:14][CH3:4])[OH:155])[C@H:93]([C@@H:83]([C@@H:53]([CH2:33][OH:133])[O:194][C@:112]9([C:102](=[O:174])[OH:175])[CH2:22][C@H:42]([OH:142])[C@@H:72]([N:122]=[C:62]([CH2:12][CH3:2])[OH:153])[C@H:91]([C@@H:81]([C@@H:51]([CH2:31][OH:131])[OH:151])[OH:162])[O:203]9)[OH:164])[O:205]8)[OH:166])[O:207]7)[OH:168])[O:209]6)[OH:170])[O:211]5)[OH:171])[O:210]4)[OH:169])[O:208]3)[OH:167])[O:206]2)[OH:165])[O:204]1)[OH:163])[OH:152] |
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