| Properties | Image |
|---|
| MNX_ID | MNXM1062553 |
 |
| reference | slm:000755181 |
| formula | C94H162N4O38 |
| global charge | 0 |
| mol weight | 1956.32 |
| InChIKey | IMRGPOMEBLTLCM-AMUVIHDLSA-N |
| InChI | InChI=1S/C94H162N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-66(110)98-57(58(109)44-42-40-38-36-34-32-19-17-15-13-11-9-7-2)53-123-91-79(120)76(117)82(63(50-103)128-91)131-93-80(121)77(118)83(64(51-104)129-93)132-94-81(122)87(136-90-68(96-55(4)107)85(72(113)61(48-101)126-90)134-88-67(95-54(3)106)74(115)70(111)59(46-99)124-88)84(65(52-105)130-94)133-89-69(97-56(5)108)86(73(114)62(49-102)125-89)135-92-78(119)75(116)71(112)60(47-100)127-92/h14,16,20-21,23-24,26-27,29-30,57-65,67-94,99-105,109,111-122H,6-13,15,17-19,22,25,28,31-53H2,1-5H3,(H,95,106)(H,96,107)(H,97,108)(H,98,110)/b16-14-,21-20-,24-23-,27-26-,30-29-/t57-,58+,59+,60+,61+,62+,63+,64+,65+,67+,68+,69+,70-,71-,72-,73-,74+,75-,76+,77+,78+,79+,80+,81+,82+,83-,84-,85+,86+,87+,88+,89-,90-,91+,92-,93-,94+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C94H162N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-66(110)98-57(58(109)44-42-40-38-36-34-32-19-17-15-13-11-9-7-2)53-123-91-79(120)76(117)82(63(50-103)128-91)131-93-80(121)77(118)83(64(51-104)129-93)132-94-81(122)87(136-90-68(96-55(4)107)85(72(113)61(48-101)126-90)134-88-67(95-54(3)106)74(115)70(111)59(46-99)124-88)84(65(52-105)130-94)133-89-69(97-56(5)108)86(73(114)62(49-102)125-89)135-92-78(119)75(116)71(112)60(47-100)127-92/h14,16,20-21,23-24,26-27,29-30,57-65,67-94,99-105,109,111-122H,6-13,15,17-19,22,25,28,31-53H2,1-5H3,(H,95,106)(H,96,107)(H,97,108)(H,98,110)/b16-14-,21-20-,24-23-,27-26-,30-29-/t57-,58+,59+,60+,61+,62+,63+,64+,65+,67+,68+,69+,70-,71-,72-,73-,74+,75-,76+,77+,78+,79+,80+,81+,82+,83-,84-,85+,86+,87+,88+,89-,90-,91+,92-,93-,94+/m0/s1 |
 |
| 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]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:66](=[N:98][C@@H:57]([CH2:53][O:123][C@H:91]1[C@H:79]([OH:120])[C@@H:76]([OH:117])[C@H:82]([O:131][C@H:93]2[C@H:80]([OH:121])[C@@H:77]([OH:118])[C@@H:83]([O:132][C@@H:94]3[C@H:81]([OH:122])[C@@H:87]([O:136][C@H:90]4[C@H:68]([N:96]=[C:55]([CH3:4])[OH:107])[C@@H:85]([O:134][C@@H:88]5[C@H:67]([N:95]=[C:54]([CH3:3])[OH:106])[C@@H:74]([OH:115])[C@@H:70]([OH:111])[C@@H:59]([CH2:46][OH:99])[O:124]5)[C@@H:72]([OH:113])[C@@H:61]([CH2:48][OH:101])[O:126]4)[C@@H:84]([O:133][C@H:89]4[C@H:69]([N:97]=[C:56]([CH3:5])[OH:108])[C@@H:86]([O:135][C@H:92]5[C@H:78]([OH:119])[C@@H:75]([OH:116])[C@@H:71]([OH:112])[C@@H:60]([CH2:47][OH:100])[O:127]5)[C@@H:73]([OH:114])[C@@H:62]([CH2:49][OH:102])[O:125]4)[C@@H:65]([CH2:52][OH:105])[O:130]3)[C@@H:64]([CH2:51][OH:104])[O:129]2)[C@@H:63]([CH2:50][OH:103])[O:128]1)[C@@H:58]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:109])[OH:110] |
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