| Properties | Image |
|---|
| MNX_ID | MNXM525143 |
 |
| reference | slm:000485981 |
| formula | C90H152N5O47 |
| global charge | -3 |
| mol weight | 2056.194 |
| InChIKey | HAALGNWQZJDRQK-LSJNSJQESA-K |
| InChI | InChI=1S/C90H155N5O47/c1-7-9-11-13-15-17-19-20-21-22-24-26-28-30-48(106)47(95-59(113)31-29-27-25-23-18-16-14-12-10-8-2)41-129-82-70(120)69(119)73(56(39-100)132-82)135-84-72(122)80(142-90(87(127)128)34-51(109)62(93-45(5)104)78(140-90)66(116)54(112)37-98)74(57(40-101)133-84)136-81-63(94-46(6)105)75(68(118)58(134-81)42-130-88(85(123)124)32-49(107)60(91-43(3)102)76(138-88)64(114)52(110)35-96)137-83-71(121)79(67(117)55(38-99)131-83)141-89(86(125)126)33-50(108)61(92-44(4)103)77(139-89)65(115)53(111)36-97/h28,30,47-58,60-84,96-101,106-112,114-122H,7-27,29,31-42H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,105)(H,95,113)(H,123,124)(H,125,126)(H,127,128)/p-3/b30-28+/t47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,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-,88+,89-,90-/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@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[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](O)CO)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)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C90H155N5O47/c1-7-9-11-13-15-17-19-20-21-22-24-26-28-30-48(106)47(95-59(113)31-29-27-25-23-18-16-14-12-10-8-2)41-129-82-70(120)69(119)73(56(39-100)132-82)135-84-72(122)80(142-90(87(127)128)34-51(109)62(93-45(5)104)78(140-90)66(116)54(112)37-98)74(57(40-101)133-84)136-81-63(94-46(6)105)75(68(118)58(134-81)42-130-88(85(123)124)32-49(107)60(91-43(3)102)76(138-88)64(114)52(110)35-96)137-83-71(121)79(67(117)55(38-99)131-83)141-89(86(125)126)33-50(108)61(92-44(4)103)77(139-89)65(115)53(111)36-97/h28,30,47-58,60-84,96-101,106-112,114-122H,7-27,29,31-42H2,1-6H3,(H,91,102)(H,92,103)(H,93,104)(H,94,105)(H,95,113)(H,123,124)(H,125,126)(H,127,128)/b30-28+/t47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,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-,88+,89-,90-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26]/[CH:28]=[CH:30]/[C@H:48]([C@H:47]([CH2:41][O:129][C@H:82]1[C@H:70]([OH:120])[C@@H:69]([OH:119])[C@H:73]([O:135][C@H:84]2[C@H:72]([OH:122])[C@@H:80]([O:142][C@:90]3([C:87](=[O:127])[OH:128])[CH2:34][C@H:51]([OH:109])[C@@H:62]([N:93]=[C:45]([CH3:5])[OH:104])[C@H:78]([C@@H:66]([C@@H:54]([CH2:37][OH:98])[OH:112])[OH:116])[O:140]3)[C@@H:74]([O:136][C@H:81]3[C@H:63]([N:94]=[C:46]([CH3:6])[OH:105])[C@@H:75]([O:137][C@H:83]4[C@H:71]([OH:121])[C@@H:79]([O:141][C@:89]5([C:86](=[O:125])[OH:126])[CH2:33][C@H:50]([OH:108])[C@@H:61]([N:92]=[C:44]([CH3:4])[OH:103])[C@H:77]([C@@H:65]([C@@H:53]([CH2:36][OH:97])[OH:111])[OH:115])[O:139]5)[C@@H:67]([OH:117])[C@@H:55]([CH2:38][OH:99])[O:131]4)[C@@H:68]([OH:118])[C@@H:58]([CH2:42][O:130][C@:88]4([C:85](=[O:123])[OH:124])[CH2:32][C@H:49]([OH:107])[C@@H:60]([N:91]=[C:43]([CH3:3])[OH:102])[C@H:76]([C@@H:64]([C@@H:52]([CH2:35][OH:96])[OH:110])[OH:114])[O:138]4)[O:134]3)[C@@H:57]([CH2:40][OH:101])[O:133]2)[C@@H:56]([CH2:39][OH:100])[O:132]1)[N:95]=[C:59]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:113])[OH:106] |
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