| Properties | Image |
|---|
| MNX_ID | MNXM1064653 |
 |
| reference | slm:000757317 |
| formula | C78H138N2O37 |
| global charge | 0 |
| mol weight | 1695.939 |
| InChIKey | PQECQPKHKMZONC-HGEKEIFGSA-N |
| InChI | InChI=1S/C78H138N2O37/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(88)42(80-50(89)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-104-73-63(101)60(98)66(49(38-86)111-73)112-76-65(103)69(56(94)47(36-84)108-76)115-77-64(102)68(55(93)46(35-83)109-77)114-72-51(79-41(4)87)67(54(92)45(34-82)106-72)113-78-71(117-74-61(99)58(96)52(90)40(3)105-74)70(57(95)48(37-85)110-78)116-75-62(100)59(97)53(91)44(33-81)107-75/h22,24,29,31,40,42-49,51-78,81-86,88,90-103H,5-21,23,25-28,30,32-39H2,1-4H3,(H,79,87)(H,80,89)/b24-22-,31-29+/t40-,42-,43+,44+,45+,46+,47+,48+,49+,51+,52+,53-,54-,55-,56-,57-,58+,59-,60+,61-,62+,63+,64+,65+,66+,67+,68-,69-,70-,71+,72-,73+,74-,75+,76-,77+,78-/m0/s1 |
| SMILES | CCCCCCCCC/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](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@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H138N2O37/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(88)42(80-50(89)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-104-73-63(101)60(98)66(49(38-86)111-73)112-76-65(103)69(56(94)47(36-84)108-76)115-77-64(102)68(55(93)46(35-83)109-77)114-72-51(79-41(4)87)67(54(92)45(34-82)106-72)113-78-71(117-74-61(99)58(96)52(90)40(3)105-74)70(57(95)48(37-85)110-78)116-75-62(100)59(97)53(91)44(33-81)107-75/h22,24,29,31,40,42-49,51-78,81-86,88,90-103H,5-21,23,25-28,30,32-39H2,1-4H3,(H,79,87)(H,80,89)/b24-22-,31-29+/t40-,42-,43+,44+,45+,46+,47+,48+,49+,51+,52+,53-,54-,55-,56-,57-,58+,59-,60+,61-,62+,63+,64+,65+,66+,67+,68-,69-,70-,71+,72-,73+,74-,75+,76-,77+,78-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27]/[CH:29]=[CH:31]/[C@H:43]([C@H:42]([CH2:39][O:104][C@H:73]1[C@H:63]([OH:101])[C@@H:60]([OH:98])[C@H:66]([O:112][C@H:76]2[C@H:65]([OH:103])[C@@H:69]([O:115][C@@H:77]3[C@H:64]([OH:102])[C@@H:68]([O:114][C@H:72]4[C@H:51]([N:79]=[C:41]([CH3:4])[OH:87])[C@@H:67]([O:113][C@H:78]5[C@H:71]([O:117][C@H:74]6[C@@H:61]([OH:99])[C@H:58]([OH:96])[C@H:52]([OH:90])[C@H:40]([CH3:3])[O:105]6)[C@@H:70]([O:116][C@@H:75]6[C@H:62]([OH:100])[C@@H:59]([OH:97])[C@@H:53]([OH:91])[C@@H:44]([CH2:33][OH:81])[O:107]6)[C@@H:57]([OH:95])[C@@H:48]([CH2:37][OH:85])[O:110]5)[C@@H:54]([OH:92])[C@@H:45]([CH2:34][OH:82])[O:106]4)[C@@H:55]([OH:93])[C@@H:46]([CH2:35][OH:83])[O:109]3)[C@@H:56]([OH:94])[C@@H:47]([CH2:36][OH:84])[O:108]2)[C@@H:49]([CH2:38][OH:86])[O:111]1)[N:80]=[C:50]([CH2:32][CH2:30][CH2:28][CH2:26]/[CH:24]=[CH:22]\[CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:89])[OH:88] |
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