| Properties | Image |
|---|
| MNX_ID | MNXM522618 |
 |
| reference | slm:000486280 |
| formula | C90H148N4O39 |
| global charge | -2 |
| mol weight | 1910.163 |
| InChIKey | FUABIQIURPEFIP-KRCBZLARSA-L |
| InChI | InChI=1S/C90H150N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(109)94-54(55(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-122-84-73(115)72(114)76(62(48-99)125-84)127-86-75(117)82(133-90(88(120)121)43-57(106)66(92-52(4)102)80(131-90)69(111)59(108)45-96)77(63(49-100)126-86)128-83-67(93-53(5)103)78(70(112)60(46-97)123-83)129-85-74(116)81(71(113)61(47-98)124-85)132-89(87(118)119)42-56(105)65(91-51(3)101)79(130-89)68(110)58(107)44-95/h14,16,20-21,23-24,26-27,31,33,38,40,54-63,65-86,95-100,104-108,110-117H,6-13,15,17-19,22,25,28-30,32,34-37,39,41-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,103)(H,94,109)(H,118,119)(H,120,121)/p-2/b16-14-,21-20-,24-23-,27-26-,33-31-,40-38+/t54-,55+,56-,57-,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70-,71-,72+,73+,74+,75+,76+,77-,78+,79+,80+,81-,82+,83-,84+,85-,86-,89-,90-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)N[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](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)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C90H150N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(109)94-54(55(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-122-84-73(115)72(114)76(62(48-99)125-84)127-86-75(117)82(133-90(88(120)121)43-57(106)66(92-52(4)102)80(131-90)69(111)59(108)45-96)77(63(49-100)126-86)128-83-67(93-53(5)103)78(70(112)60(46-97)123-83)129-85-74(116)81(71(113)61(47-98)124-85)132-89(87(118)119)42-56(105)65(91-51(3)101)79(130-89)68(110)58(107)44-95/h14,16,20-21,23-24,26-27,31,33,38,40,54-63,65-86,95-100,104-108,110-117H,6-13,15,17-19,22,25,28-30,32,34-37,39,41-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,103)(H,94,109)(H,118,119)(H,120,121)/b16-14-,21-20-,24-23-,27-26-,33-31-,40-38+/t54-,55+,56-,57-,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70-,71-,72+,73+,74+,75+,76+,77-,78+,79+,80+,81-,82+,83-,84+,85-,86-,89-,90-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:41][C:64](=[N:94][C@@H:54]([CH2:50][O:122][C@H:84]1[C@H:73]([OH:115])[C@@H:72]([OH:114])[C@H:76]([O:127][C@H:86]2[C@H:75]([OH:117])[C@@H:82]([O:133][C@:90]3([C:88](=[O:120])[OH:121])[CH2:43][C@H:57]([OH:106])[C@@H:66]([N:92]=[C:52]([CH3:4])[OH:102])[C@H:80]([C@@H:69]([C@@H:59]([CH2:45][OH:96])[OH:108])[OH:111])[O:131]3)[C@@H:77]([O:128][C@H:83]3[C@H:67]([N:93]=[C:53]([CH3:5])[OH:103])[C@@H:78]([O:129][C@H:85]4[C@H:74]([OH:116])[C@@H:81]([O:132][C@:89]5([C:87](=[O:118])[OH:119])[CH2:42][C@H:56]([OH:105])[C@@H:65]([N:91]=[C:51]([CH3:3])[OH:101])[C@H:79]([C@@H:68]([C@@H:58]([CH2:44][OH:95])[OH:107])[OH:110])[O:130]5)[C@@H:71]([OH:113])[C@@H:61]([CH2:47][OH:98])[O:124]4)[C@@H:70]([OH:112])[C@@H:60]([CH2:46][OH:97])[O:123]3)[C@@H:63]([CH2:49][OH:100])[O:126]2)[C@@H:62]([CH2:48][OH:99])[O:125]1)[C@@H:55](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:104])[OH:109] |
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