| Properties | Image |
|---|
| MNX_ID | MNXM1066067 |
 |
| reference | slm:000759176 |
| formula | C68H122N2O27 |
| global charge | 0 |
| mol weight | 1399.711 |
| InChIKey | ONOULQXQMSDVGV-QFOIQWFESA-N |
| InChI | InChI=1S/C68H122N2O27/c1-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-43(76)42(70-48(77)34-32-30-28-26-24-21-18-16-14-12-10-8-6-2)39-88-65-58(86)55(83)61(46(37-73)92-65)95-67-59(87)56(84)60(47(38-74)93-67)94-64-49(69-41(4)75)62(52(80)45(36-72)90-64)96-68-63(54(82)51(79)44(35-71)91-68)97-66-57(85)53(81)50(78)40(3)89-66/h10,12,16,18,40,42-47,49-68,71-74,76,78-87H,5-9,11,13-15,17,19-39H2,1-4H3,(H,69,75)(H,70,77)/b12-10-,18-16-/t40-,42-,43+,44+,45+,46+,47+,49+,50+,51-,52-,53+,54-,55+,56+,57-,58+,59+,60-,61+,62+,63+,64-,65+,66-,67-,68-/m0/s1 |
| SMILES | CCC/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](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H122N2O27/c1-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-43(76)42(70-48(77)34-32-30-28-26-24-21-18-16-14-12-10-8-6-2)39-88-65-58(86)55(83)61(46(37-73)92-65)95-67-59(87)56(84)60(47(38-74)93-67)94-64-49(69-41(4)75)62(52(80)45(36-72)90-64)96-68-63(54(82)51(79)44(35-71)91-68)97-66-57(85)53(81)50(78)40(3)89-66/h10,12,16,18,40,42-47,49-68,71-74,76,78-87H,5-9,11,13-15,17,19-39H2,1-4H3,(H,69,75)(H,70,77)/b12-10-,18-16-/t40-,42-,43+,44+,45+,46+,47+,49+,50+,51-,52-,53+,54-,55+,56+,57-,58+,59+,60-,61+,62+,63+,64-,65+,66-,67-,68-/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][CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C@H:43]([C@H:42]([CH2:39][O:88][C@H:65]1[C@H:58]([OH:86])[C@@H:55]([OH:83])[C@H:61]([O:95][C@H:67]2[C@H:59]([OH:87])[C@@H:56]([OH:84])[C@@H:60]([O:94][C@H:64]3[C@H:49]([N:69]=[C:41]([CH3:4])[OH:75])[C@@H:62]([O:96][C@H:68]4[C@H:63]([O:97][C@H:66]5[C@@H:57]([OH:85])[C@H:53]([OH:81])[C@H:50]([OH:78])[C@H:40]([CH3:3])[O:89]5)[C@@H:54]([OH:82])[C@@H:51]([OH:79])[C@@H:44]([CH2:35][OH:71])[O:91]4)[C@@H:52]([OH:80])[C@@H:45]([CH2:36][OH:72])[O:90]3)[C@@H:47]([CH2:38][OH:74])[O:93]2)[C@@H:46]([CH2:37][OH:73])[O:92]1)[N:70]=[C:48]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH3:2])[OH:77])[OH:76] |
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