| Properties | Image |
|---|
| MNX_ID | MNXM522725 |
 |
| reference | slm:000486170 |
| formula | C98H162N4O39 |
| global charge | -2 |
| mol weight | 2020.363 |
| InChIKey | DBZRPHDOZYMCEE-UDFUYSCMSA-L |
| InChI | InChI=1S/C98H164N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-72(116)102-62(63(111)48-46-44-42-40-38-36-19-17-15-13-11-9-7-2)57-130-92-82(123)80(121)86(69(55-106)133-92)137-93-83(124)81(122)85(70(56-107)134-93)136-91-75(101-61(5)110)87(79(120)71(135-91)58-131-97(95(126)127)50-64(112)73(99-59(3)108)88(139-97)76(117)66(114)52-103)138-94-84(125)90(78(119)68(54-105)132-94)141-98(96(128)129)51-65(113)74(100-60(4)109)89(140-98)77(118)67(115)53-104/h8,10,14,16,20-21,23-24,26-27,29-30,46,48,62-71,73-94,103-107,111-115,117-125H,6-7,9,11-13,15,17-19,22,25,28,31-45,47,49-58H2,1-5H3,(H,99,108)(H,100,109)(H,101,110)(H,102,116)(H,126,127)(H,128,129)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,30-29-,48-46+/t62-,63+,64-,65-,66+,67+,68+,69+,70+,71+,73+,74+,75+,76+,77+,78-,79-,80+,81+,82+,83+,84+,85-,86+,87+,88+,89+,90-,91-,92+,93-,94-,97+,98-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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@]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@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C98H164N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-72(116)102-62(63(111)48-46-44-42-40-38-36-19-17-15-13-11-9-7-2)57-130-92-82(123)80(121)86(69(55-106)133-92)137-93-83(124)81(122)85(70(56-107)134-93)136-91-75(101-61(5)110)87(79(120)71(135-91)58-131-97(95(126)127)50-64(112)73(99-59(3)108)88(139-97)76(117)66(114)52-103)138-94-84(125)90(78(119)68(54-105)132-94)141-98(96(128)129)51-65(113)74(100-60(4)109)89(140-98)77(118)67(115)53-104/h8,10,14,16,20-21,23-24,26-27,29-30,46,48,62-71,73-94,103-107,111-115,117-125H,6-7,9,11-13,15,17-19,22,25,28,31-45,47,49-58H2,1-5H3,(H,99,108)(H,100,109)(H,101,110)(H,102,116)(H,126,127)(H,128,129)/b10-8-,16-14-,21-20-,24-23-,27-26-,30-29-,48-46+/t62-,63+,64-,65-,66+,67+,68+,69+,70+,71+,73+,74+,75+,76+,77+,78-,79-,80+,81+,82+,83+,84+,85-,86+,87+,88+,89+,90-,91-,92+,93-,94-,97+,98-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH: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]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:72](=[N:102][C@@H:62]([CH2:57][O:130][C@H:92]1[C@H:82]([OH:123])[C@@H:80]([OH:121])[C@H:86]([O:137][C@H:93]2[C@H:83]([OH:124])[C@@H:81]([OH:122])[C@@H:85]([O:136][C@H:91]3[C@H:75]([N:101]=[C:61]([CH3:5])[OH:110])[C@@H:87]([O:138][C@H:94]4[C@H:84]([OH:125])[C@@H:90]([O:141][C@:98]5([C:96](=[O:128])[OH:129])[CH2:51][C@H:65]([OH:113])[C@@H:74]([N:100]=[C:60]([CH3:4])[OH:109])[C@H:89]([C@@H:77]([C@@H:67]([CH2:53][OH:104])[OH:115])[OH:118])[O:140]5)[C@@H:78]([OH:119])[C@@H:68]([CH2:54][OH:105])[O:132]4)[C@@H:79]([OH:120])[C@@H:71]([CH2:58][O:131][C@:97]4([C:95](=[O:126])[OH:127])[CH2:50][C@H:64]([OH:112])[C@@H:73]([N:99]=[C:59]([CH3:3])[OH:108])[C@H:88]([C@@H:76]([C@@H:66]([CH2:52][OH:103])[OH:114])[OH:117])[O:139]4)[O:135]3)[C@@H:70]([CH2:56][OH:107])[O:134]2)[C@@H:69]([CH2:55][OH:106])[O:133]1)[C@@H:63](/[CH:48]=[CH:46]/[CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:111])[OH:116] |
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