| Properties | Image |
|---|
| MNX_ID | MNXM1059107 |
 |
| reference | slm:000751685 |
| formula | C88H151N3O38 |
| global charge | 0 |
| mol weight | 1859.159 |
| InChIKey | ZOFIVQNNYIWRBC-PTJJTROESA-N |
| InChI | InChI=1S/C88H151N3O38/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-60(101)91-51(52(100)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-116-84-74(113)70(109)78(57(45-96)122-84)126-87-75(114)71(110)79(58(46-97)123-87)127-88-76(115)81(65(104)55(43-94)120-88)129-83-62(90-50(4)99)80(128-86-73(112)69(108)64(103)54(42-93)119-86)66(105)59(124-83)48-117-82-61(89-49(3)98)67(106)77(56(44-95)121-82)125-85-72(111)68(107)63(102)53(41-92)118-85/h13,15,19-20,22-23,25-26,37,39,51-59,61-88,92-97,100,102-115H,5-12,14,16-18,21,24,27-36,38,40-48H2,1-4H3,(H,89,98)(H,90,99)(H,91,101)/b15-13-,20-19-,23-22-,26-25-,39-37+/t51-,52+,53+,54+,55+,56+,57+,58+,59+,61+,62+,63-,64-,65-,66-,67+,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80+,81-,82+,83-,84+,85-,86-,87-,88+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[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]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H151N3O38/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-60(101)91-51(52(100)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-116-84-74(113)70(109)78(57(45-96)122-84)126-87-75(114)71(110)79(58(46-97)123-87)127-88-76(115)81(65(104)55(43-94)120-88)129-83-62(90-50(4)99)80(128-86-73(112)69(108)64(103)54(42-93)119-86)66(105)59(124-83)48-117-82-61(89-49(3)98)67(106)77(56(44-95)121-82)125-85-72(111)68(107)63(102)53(41-92)118-85/h13,15,19-20,22-23,25-26,37,39,51-59,61-88,92-97,100,102-115H,5-12,14,16-18,21,24,27-36,38,40-48H2,1-4H3,(H,89,98)(H,90,99)(H,91,101)/b15-13-,20-19-,23-22-,26-25-,39-37+/t51-,52+,53+,54+,55+,56+,57+,58+,59+,61+,62+,63-,64-,65-,66-,67+,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80+,81-,82+,83-,84+,85-,86-,87-,88+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:60](=[N:91][C@@H:51]([CH2:47][O:116][C@H:84]1[C@H:74]([OH:113])[C@@H:70]([OH:109])[C@H:78]([O:126][C@H:87]2[C@H:75]([OH:114])[C@@H:71]([OH:110])[C@@H:79]([O:127][C@@H:88]3[C@H:76]([OH:115])[C@@H:81]([O:129][C@H:83]4[C@H:62]([N:90]=[C:50]([CH3:4])[OH:99])[C@@H:80]([O:128][C@H:86]5[C@H:73]([OH:112])[C@@H:69]([OH:108])[C@@H:64]([OH:103])[C@@H:54]([CH2:42][OH:93])[O:119]5)[C@@H:66]([OH:105])[C@@H:59]([CH2:48][O:117][C@H:82]5[C@H:61]([N:89]=[C:49]([CH3:3])[OH:98])[C@@H:67]([OH:106])[C@H:77]([O:125][C@H:85]6[C@H:72]([OH:111])[C@@H:68]([OH:107])[C@@H:63]([OH:102])[C@@H:53]([CH2:41][OH:92])[O:118]6)[C@@H:56]([CH2:44][OH:95])[O:121]5)[O:124]4)[C@@H:65]([OH:104])[C@@H:55]([CH2:43][OH:94])[O:120]3)[C@@H:58]([CH2:46][OH:97])[O:123]2)[C@@H:57]([CH2:45][OH:96])[O:122]1)[C@@H:52](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:100])[OH:101] |
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