| Properties | Image |
|---|
| MNX_ID | MNXM522080 |
 |
| reference | slm:000487875 |
| formula | C62H108N2O18 |
| global charge | 0 |
| mol weight | 1169.542 |
| InChIKey | VFEYUSCRXDNZBR-JLXJUCHOSA-N |
| InChI | InChI=1S/C62H108N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-50(70)64-45(46(69)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)43-77-61-56(75)54(73)59(48(41-66)79-61)82-62-57(76)55(74)58(49(42-67)80-62)81-60-51(63-44(3)68)53(72)52(71)47(40-65)78-60/h12,14,18-19,21-22,24-25,36,38,45-49,51-62,65-67,69,71-76H,4-11,13,15-17,20,23,26-35,37,39-43H2,1-3H3,(H,63,68)(H,64,70)/b14-12-,19-18-,22-21-,25-24-,38-36+/t45-,46+,47+,48+,49+,51+,52-,53+,54+,55+,56+,57+,58-,59+,60-,61+,62-/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]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/C62H108N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-50(70)64-45(46(69)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)43-77-61-56(75)54(73)59(48(41-66)79-61)82-62-57(76)55(74)58(49(42-67)80-62)81-60-51(63-44(3)68)53(72)52(71)47(40-65)78-60/h12,14,18-19,21-22,24-25,36,38,45-49,51-62,65-67,69,71-76H,4-11,13,15-17,20,23,26-35,37,39-43H2,1-3H3,(H,63,68)(H,64,70)/b14-12-,19-18-,22-21-,25-24-,38-36+/t45-,46+,47+,48+,49+,51+,52-,53+,54+,55+,56+,57+,58-,59+,60-,61+,62-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:50](=[N:64][C@@H:45]([CH2:43][O:77][C@H:61]1[C@H:56]([OH:75])[C@@H:54]([OH:73])[C@H:59]([O:82][C@H:62]2[C@H:57]([OH:76])[C@@H:55]([OH:74])[C@@H:58]([O:81][C@H:60]3[C@H:51]([N:63]=[C:44]([CH3:3])[OH:68])[C@@H:53]([OH:72])[C@@H:52]([OH:71])[C@@H:47]([CH2:40][OH:65])[O:78]3)[C@@H:49]([CH2:42][OH:67])[O:80]2)[C@@H:48]([CH2:41][OH:66])[O:79]1)[C@@H:46](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:69])[OH:70] |
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