| Properties | Image |
|---|
| MNX_ID | MNXM343718 |
 |
| reference | slm:000019063 |
| formula | C45H76O13P |
| global charge | -1 |
| mol weight | 856.064 |
| InChIKey | KEQIEIMHXQRURM-GWBHUFHDSA-M |
| InChI | InChI=1S/C45H77O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-39(47)57-37(35-55-38(46)33-4-2)36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52/h5-6,8-9,11-12,14-15,17-18,37,40-45,48-52H,3-4,7,10,13,16,19-36H2,1-2H3,(H,53,54)/p-1/b6-5-,9-8-,12-11-,15-14-,18-17-/t37-,40-,41-,42+,43-,44-,45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C45H77O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-39(47)57-37(35-55-38(46)33-4-2)36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52/h5-6,8-9,11-12,14-15,17-18,37,40-45,48-52H,3-4,7,10,13,16,19-36H2,1-2H3,(H,53,54)/b6-5-,9-8-,12-11-,15-14-,18-17-/t37-,40-,41-,42+,43-,44-,45-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][C:39](=[O:47])[O:57][C@H:37]([CH2:35][O:55][C:38]([CH2:33][CH2:4][CH3:2])=[O:46])[CH2:36][O:56][P:59]([OH:53])(=[O:54])[O:58][C@@H:45]1[C@H:43]([OH:51])[C@H:41]([OH:49])[C@@H:40]([OH:48])[C@H:42]([OH:50])[C@H:44]1[OH:52] |
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