| Properties | Image |
|---|
| MNX_ID | MNXM1180639 |
 |
| reference | envipathM:...a75bf1f323d5 |
| formula | C82H132N3O56 |
| global charge | -1 |
| mol weight | 2055.923 |
| InChIKey | NBBHTDOMPXLBIK-NVSXPAIVSA-M |
| InChI | InChI=1S/C82H133N3O56/c86-16-29-39(87)50(98)60(108)70(129-29)119-18-32-45(93)55(103)66(140-74-64(112)54(102)44(92)38(133-74)25-127-82(117)118)76(134-32)122-20-31-41(89)51(99)61(109)71(130-31)120-19-33-46(94)56(104)67(139-73-63(111)53(101)43(91)37(132-73)24-126-80(115)84-27-12-6-2-7-13-27)77(135-33)123-21-35-48(96)58(106)68(141-81(116)85-28-14-8-3-9-15-28)78(137-35)124-22-34-47(95)57(105)65(75(136-34)121-17-30-40(88)49(97)59(107)69(113)128-30)138-72-62(110)52(100)42(90)36(131-72)23-125-79(114)83-26-10-4-1-5-11-26/h26-61,63-78,86-109,111-113H,1-25H2,(H,83,114)(H,84,115)(H,85,116)(H,117,118)/p-1/t29-,30-,31-,32-,33-,34-,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-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+/m1/s1 |
| SMILES | O=C([O-])OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](OC[C@H]5O[C@H](OC[C@H]6O[C@H](OC[C@H]7O[C@H](O)[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O[C@@H]7O[C@H](COC(=O)NC8CCCCC8)[C@@H](O)[C@H](O)C7=O)[C@@H](O)[C@@H]6O)[C@H](OC(=O)NC6CCCCC6)[C@@H](O)[C@@H]5O)[C@H](O[C@@H]5O[C@H](COC(=O)NC6CCCCC6)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C82H133N3O56/c86-16-29-39(87)50(98)60(108)70(129-29)119-18-32-45(93)55(103)66(140-74-64(112)54(102)44(92)38(133-74)25-127-82(117)118)76(134-32)122-20-31-41(89)51(99)61(109)71(130-31)120-19-33-46(94)56(104)67(139-73-63(111)53(101)43(91)37(132-73)24-126-80(115)84-27-12-6-2-7-13-27)77(135-33)123-21-35-48(96)58(106)68(141-81(116)85-28-14-8-3-9-15-28)78(137-35)124-22-34-47(95)57(105)65(75(136-34)121-17-30-40(88)49(97)59(107)69(113)128-30)138-72-62(110)52(100)42(90)36(131-72)23-125-79(114)83-26-10-4-1-5-11-26/h26-61,63-78,86-109,111-113H,1-25H2,(H,83,114)(H,84,115)(H,85,116)(H,117,118)/t29-,30-,31-,32-,33-,34-,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-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:4][CH2:10][CH:26]([N:83]=[C:79]([OH:114])[O:125][CH2:23][C@@H:36]2[C@@H:42]([OH:90])[C@H:52]([OH:100])[C:62](=[O:110])[C@H:72]([O:138][C@@H:65]3[C@@H:57]([OH:105])[C@H:47]([OH:95])[C@@H:34]([CH2:22][O:124][C@@H:78]4[C@H:68]([O:141][C:81](=[N:85][CH:28]5[CH2:14][CH2:8][CH2:3][CH2:9][CH2:15]5)[OH:116])[C@@H:58]([OH:106])[C@H:48]([OH:96])[C@@H:35]([CH2:21][O:123][C@@H:77]5[C@H:67]([O:139][C@H:73]6[C@H:63]([OH:111])[C@@H:53]([OH:101])[C@H:43]([OH:91])[C@@H:37]([CH2:24][O:126][C:80](=[N:84][CH:27]7[CH2:12][CH2:6][CH2:2][CH2:7][CH2:13]7)[OH:115])[O:132]6)[C@@H:56]([OH:104])[C@H:46]([OH:94])[C@@H:33]([CH2:19][O:120][C@@H:71]6[C@H:61]([OH:109])[C@@H:51]([OH:99])[C@H:41]([OH:89])[C@@H:31]([CH2:20][O:122][C@@H:76]7[C@H:66]([O:140][C@H:74]8[C@H:64]([OH:112])[C@@H:54]([OH:102])[C@H:44]([OH:92])[C@@H:38]([CH2:25][O:127][C:82](=[O:117])[OH:118])[O:133]8)[C@@H:55]([OH:103])[C@H:45]([OH:93])[C@@H:32]([CH2:18][O:119][C@@H:70]8[C@H:60]([OH:108])[C@@H:50]([OH:98])[C@H:39]([OH:87])[C@@H:29]([CH2:16][OH:86])[O:129]8)[O:134]7)[O:130]6)[O:135]5)[O:137]4)[O:136][C@@H:75]3[O:121][CH2:17][C@@H:30]3[C@@H:40]([OH:88])[C@H:49]([OH:97])[C@@H:59]([OH:107])[C@@H:69]([OH:113])[O:128]3)[O:131]2)[CH2:11][CH2:5]1 |
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