| Properties | Image |
|---|
| MNX_ID | MNXM190629 |
 |
| reference | slm:000464759 |
| formula | C49H78O19P3 |
| global charge | -5 |
| mol weight | 1064.066 |
| InChIKey | BMWFJUGZNXQRFL-YXIMNBLASA-I |
| InChI | InChI=1S/C49H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)65-41(39-63-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,41,44-49,52-54H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/p-5/b7-5-,13-11-,16-14+,19-17-,22-21-,28-26-,34-32-/t41-,44-,45+,46+,47-,48-,49-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C49H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)65-41(39-63-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,41,44-49,52-54H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b7-5-,13-11-,16-14+,19-17-,22-21-,28-26-,34-32-/t41-,44-,45+,46+,47-,48-,49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][C:43](=[O:51])[O:65][C@H:41]([CH2:39][O:63][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50])[CH2:40][O:64][P:71]([OH:61])(=[O:62])[O:68][C@@H:47]1[C@H:44]([OH:52])[C@H:45]([OH:53])[C@@H:48]([O:66][P:69]([OH:55])([OH:56])=[O:57])[C@H:49]([O:67][P:70]([OH:58])([OH:59])=[O:60])[C@H:46]1[OH:54] |
|