| Properties | Image |
|---|
| MNX_ID | MNXM522281 |
 |
| reference | slm:000485770 |
| formula | C60H103NO18 |
| global charge | 0 |
| mol weight | 1126.473 |
| InChIKey | QZFYLCJSQNUGFL-OULSUAJOSA-N |
| InChI | InChI=1S/C60H103NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-58-54(72)51(69)56(46(40-63)76-58)79-60-55(73)52(70)57(47(41-64)77-60)78-59-53(71)50(68)49(67)45(39-62)75-59/h11,13,17-18,20-21,23-24,28,30,35,37,43-47,49-60,62-65,67-73H,3-10,12,14-16,19,22,25-27,29,31-34,36,38-42H2,1-2H3,(H,61,66)/b13-11-,18-17-,21-20-,24-23-,30-28-,37-35+/t43-,44+,45+,46+,47+,49-,50-,51+,52+,53+,54+,55+,56+,57-,58+,59+,60-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/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]3O[C@H](CO)[C@H](O)[C@H](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/C60H103NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(66)61-43(44(65)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)42-74-58-54(72)51(69)56(46(40-63)76-58)79-60-55(73)52(70)57(47(41-64)77-60)78-59-53(71)50(68)49(67)45(39-62)75-59/h11,13,17-18,20-21,23-24,28,30,35,37,43-47,49-60,62-65,67-73H,3-10,12,14-16,19,22,25-27,29,31-34,36,38-42H2,1-2H3,(H,61,66)/b13-11-,18-17-,21-20-,24-23-,30-28-,37-35+/t43-,44+,45+,46+,47+,49-,50-,51+,52+,53+,54+,55+,56+,57-,58+,59+,60-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][C:48](=[N:61][C@@H:43]([CH2:42][O:74][C@H:58]1[C@H:54]([OH:72])[C@@H:51]([OH:69])[C@H:56]([O:79][C@H:60]2[C@H:55]([OH:73])[C@@H:52]([OH:70])[C@@H:57]([O:78][C@@H:59]3[C@H:53]([OH:71])[C@@H:50]([OH:68])[C@@H:49]([OH:67])[C@@H:45]([CH2:39][OH:62])[O:75]3)[C@@H:47]([CH2:41][OH:64])[O:77]2)[C@@H:46]([CH2:40][OH:63])[O:76]1)[C@@H:44](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:65])[OH:66] |
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