| Properties | Image |
|---|
| MNX_ID | MNXM522111 |
 |
| reference | slm:000487853 |
| formula | C74H130N2O18 |
| global charge | 0 |
| mol weight | 1335.85 |
| InChIKey | CCZRUZSFHDQOQR-FXZCVMLQSA-N |
| InChI | InChI=1S/C74H130N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-62(82)76-57(58(81)50-48-46-44-42-40-38-17-15-13-11-9-7-5-2)55-89-73-68(87)66(85)71(60(53-78)91-73)94-74-69(88)67(86)70(61(54-79)92-74)93-72-63(75-56(3)80)65(84)64(83)59(52-77)90-72/h6,8,12,14,18-19,21-22,24-25,48,50,57-61,63-74,77-79,81,83-88H,4-5,7,9-11,13,15-17,20,23,26-47,49,51-55H2,1-3H3,(H,75,80)(H,76,82)/b8-6-,14-12-,19-18-,22-21-,25-24-,50-48+/t57-,58+,59+,60+,61+,63+,64-,65+,66+,67+,68+,69+,70-,71+,72-,73+,74-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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]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/C74H130N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-62(82)76-57(58(81)50-48-46-44-42-40-38-17-15-13-11-9-7-5-2)55-89-73-68(87)66(85)71(60(53-78)91-73)94-74-69(88)67(86)70(61(54-79)92-74)93-72-63(75-56(3)80)65(84)64(83)59(52-77)90-72/h6,8,12,14,18-19,21-22,24-25,48,50,57-61,63-74,77-79,81,83-88H,4-5,7,9-11,13,15-17,20,23,26-47,49,51-55H2,1-3H3,(H,75,80)(H,76,82)/b8-6-,14-12-,19-18-,22-21-,25-24-,50-48+/t57-,58+,59+,60+,61+,63+,64-,65+,66+,67+,68+,69+,70-,71+,72-,73+,74-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:62](=[N:76][C@@H:57]([CH2:55][O:89][C@H:73]1[C@H:68]([OH:87])[C@@H:66]([OH:85])[C@H:71]([O:94][C@H:74]2[C@H:69]([OH:88])[C@@H:67]([OH:86])[C@@H:70]([O:93][C@H:72]3[C@H:63]([N:75]=[C:56]([CH3:3])[OH:80])[C@@H:65]([OH:84])[C@@H:64]([OH:83])[C@@H:59]([CH2:52][OH:77])[O:90]3)[C@@H:61]([CH2:54][OH:79])[O:92]2)[C@@H:60]([CH2:53][OH:78])[O:91]1)[C@@H:58](/[CH:50]=[CH:48]/[CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:81])[OH:82] |
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