| Properties | Image |
|---|
| MNX_ID | MNXM1188122 |
 |
| reference | envipathM:...24f7fe204992 |
| formula | C88H144N4O55 |
| global charge | 0 |
| mol weight | 2138.093 |
| InChIKey | ZJYXJUOFDJATNK-CKQZUJOVSA-N |
| InChI | InChI=1S/C88H144N4O55/c93-21-36(95)47(97)48(98)37(96)23-126-81-72(144-78-69(119)60(110)51(101)44(137-78)29-132-85(122)89-32-13-5-1-6-14-32)63(113)56(106)42(140-81)28-131-84-75(147-88(125)92-35-19-11-4-12-20-35)66(116)57(107)43(143-84)27-130-83-74(146-80-71(121)62(112)53(103)46(139-80)31-134-87(124)91-34-17-9-3-10-18-34)65(115)55(105)41(142-83)25-128-77-68(118)59(109)50(100)39(136-77)26-129-82-73(64(114)54(104)40(141-82)24-127-76-67(117)58(108)49(99)38(22-94)135-76)145-79-70(120)61(111)52(102)45(138-79)30-133-86(123)90-33-15-7-2-8-16-33/h21,32-66,68-84,94-116,118-121H,1-20,22-31H2,(H,89,122)(H,90,123)(H,91,124)(H,92,125)/t36-,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-,68+,69+,70+,71+,72+,73+,74+,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-/m0/s1 |
| SMILES | O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)C6=O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](COC(=O)NC6CCCCC6)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](COC(=O)NC4CCCCC4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(=O)NC2CCCCC2)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(=O)NC2CCCCC2)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C88H144N4O55/c93-21-36(95)47(97)48(98)37(96)23-126-81-72(144-78-69(119)60(110)51(101)44(137-78)29-132-85(122)89-32-13-5-1-6-14-32)63(113)56(106)42(140-81)28-131-84-75(147-88(125)92-35-19-11-4-12-20-35)66(116)57(107)43(143-84)27-130-83-74(146-80-71(121)62(112)53(103)46(139-80)31-134-87(124)91-34-17-9-3-10-18-34)65(115)55(105)41(142-83)25-128-77-68(118)59(109)50(100)39(136-77)26-129-82-73(64(114)54(104)40(141-82)24-127-76-67(117)58(108)49(99)38(22-94)135-76)145-79-70(120)61(111)52(102)45(138-79)30-133-86(123)90-33-15-7-2-8-16-33/h21,32-66,68-84,94-116,118-121H,1-20,22-31H2,(H,89,122)(H,90,123)(H,91,124)(H,92,125)/t36-,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-,68+,69+,70+,71+,72+,73+,74+,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:5][CH2:13][CH:32]([N:89]=[C:85]([OH:122])[O:132][CH2:29][C@@H:44]2[C@@H:51]([OH:101])[C@H:60]([OH:110])[C@@H:69]([OH:119])[C@H:78]([O:144][C@@H:72]3[C@@H:63]([OH:113])[C@H:56]([OH:106])[C@@H:42]([CH2:28][O:131][C@@H:84]4[C@H:75]([O:147][C:88](=[N:92][CH:35]5[CH2:19][CH2:11][CH2:4][CH2:12][CH2:20]5)[OH:125])[C@@H:66]([OH:116])[C@H:57]([OH:107])[C@@H:43]([CH2:27][O:130][C@@H:83]5[C@H:74]([O:146][C@H:80]6[C@H:71]([OH:121])[C@@H:62]([OH:112])[C@H:53]([OH:103])[C@@H:46]([CH2:31][O:134][C:87](=[N:91][CH:34]7[CH2:17][CH2:9][CH2:3][CH2:10][CH2:18]7)[OH:124])[O:139]6)[C@@H:65]([OH:115])[C@H:55]([OH:105])[C@@H:41]([CH2:25][O:128][C@@H:77]6[C@H:68]([OH:118])[C@@H:59]([OH:109])[C@H:50]([OH:100])[C@@H:39]([CH2:26][O:129][C@@H:82]7[C@H:73]([O:145][C@H:79]8[C@H:70]([OH:120])[C@@H:61]([OH:111])[C@H:52]([OH:102])[C@@H:45]([CH2:30][O:133][C:86](=[N:90][CH:33]9[CH2:15][CH2:7][CH2:2][CH2:8][CH2:16]9)[OH:123])[O:138]8)[C@@H:64]([OH:114])[C@H:54]([OH:104])[C@@H:40]([CH2:24][O:127][C@@H:76]8[C:67](=[O:117])[C@@H:58]([OH:108])[C@H:49]([OH:99])[C@@H:38]([CH2:22][OH:94])[O:135]8)[O:141]7)[O:136]6)[O:142]5)[O:143]4)[O:140][C@@H:81]3[O:126][CH2:23][C@H:37]([C@H:48]([C@@H:47]([C@H:36]([CH:21]=[O:93])[OH:95])[OH:97])[OH:98])[OH:96])[O:137]2)[CH2:14][CH2:6]1 |
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