| Properties | Image |
|---|
| MNX_ID | MNXM525136 |
 |
| reference | slm:000486735 |
| formula | C83H138N5O47 |
| global charge | -3 |
| mol weight | 1958.005 |
| InChIKey | FXCZOLYEAIECGB-ZKNONKOWSA-K |
| InChI | InChI=1S/C83H141N5O47/c1-7-9-11-12-13-14-15-16-17-18-19-20-22-23-41(100)40(88-52(106)24-21-10-8-2)35-122-75-63(113)62(112)66(50(33-94)125-75)127-77-65(115)73(135-83(80(120)121)27-43(102)54(85-37(4)97)70(132-83)58(108)46(105)29-90)67(51(34-95)126-77)128-74-56(87-39(6)99)68(59(109)47(30-91)123-74)129-76-64(114)72(60(110)48(31-92)124-76)134-82(79(118)119)26-44(103)55(86-38(5)98)71(133-82)61(111)49(32-93)130-81(78(116)117)25-42(101)53(84-36(3)96)69(131-81)57(107)45(104)28-89/h22-23,40-51,53-77,89-95,100-105,107-115H,7-21,24-35H2,1-6H3,(H,84,96)(H,85,97)(H,86,98)(H,87,99)(H,88,106)(H,116,117)(H,118,119)(H,120,121)/p-3/b23-22+/t40-,41+,42-,43-,44-,45+,46+,47+,48+,49+,50+,51+,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-,81+,82-,83-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)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)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C83H141N5O47/c1-7-9-11-12-13-14-15-16-17-18-19-20-22-23-41(100)40(88-52(106)24-21-10-8-2)35-122-75-63(113)62(112)66(50(33-94)125-75)127-77-65(115)73(135-83(80(120)121)27-43(102)54(85-37(4)97)70(132-83)58(108)46(105)29-90)67(51(34-95)126-77)128-74-56(87-39(6)99)68(59(109)47(30-91)123-74)129-76-64(114)72(60(110)48(31-92)124-76)134-82(79(118)119)26-44(103)55(86-38(5)98)71(133-82)61(111)49(32-93)130-81(78(116)117)25-42(101)53(84-36(3)96)69(131-81)57(107)45(104)28-89/h22-23,40-51,53-77,89-95,100-105,107-115H,7-21,24-35H2,1-6H3,(H,84,96)(H,85,97)(H,86,98)(H,87,99)(H,88,106)(H,116,117)(H,118,119)(H,120,121)/b23-22+/t40-,41+,42-,43-,44-,45+,46+,47+,48+,49+,50+,51+,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-,81+,82-,83-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]/[CH:22]=[CH:23]/[C@H:41]([C@H:40]([CH2:35][O:122][C@H:75]1[C@H:63]([OH:113])[C@@H:62]([OH:112])[C@H:66]([O:127][C@H:77]2[C@H:65]([OH:115])[C@@H:73]([O:135][C@:83]3([C:80](=[O:120])[OH:121])[CH2:27][C@H:43]([OH:102])[C@@H:54]([N:85]=[C:37]([CH3:4])[OH:97])[C@H:70]([C@@H:58]([C@@H:46]([CH2:29][OH:90])[OH:105])[OH:108])[O:132]3)[C@@H:67]([O:128][C@H:74]3[C@H:56]([N:87]=[C:39]([CH3:6])[OH:99])[C@@H:68]([O:129][C@H:76]4[C@H:64]([OH:114])[C@@H:72]([O:134][C@:82]5([C:79](=[O:118])[OH:119])[CH2:26][C@H:44]([OH:103])[C@@H:55]([N:86]=[C:38]([CH3:5])[OH:98])[C@H:71]([C@@H:61]([C@@H:49]([CH2:32][OH:93])[O:130][C@:81]6([C:78](=[O:116])[OH:117])[CH2:25][C@H:42]([OH:101])[C@@H:53]([N:84]=[C:36]([CH3:3])[OH:96])[C@H:69]([C@@H:57]([C@@H:45]([CH2:28][OH:89])[OH:104])[OH:107])[O:131]6)[OH:111])[O:133]5)[C@@H:60]([OH:110])[C@@H:48]([CH2:31][OH:92])[O:124]4)[C@@H:59]([OH:109])[C@@H:47]([CH2:30][OH:91])[O:123]3)[C@@H:51]([CH2:34][OH:95])[O:126]2)[C@@H:50]([CH2:33][OH:94])[O:125]1)[N:88]=[C:52]([CH2:24][CH2:21][CH2:10][CH2:8][CH3:2])[OH:106])[OH:100] |
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