| Properties | Image |
|---|
| MNX_ID | MNXM197967 |
 |
| reference | slm:000014827 |
| formula | C47H80O13P |
| global charge | -1 |
| mol weight | 884.118 |
| InChIKey | DBPORODNUOBCJD-NZFDGTJJSA-M |
| InChI | InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21,39,42-47,50-54H,3-4,6,8-10,15-16,20,22-38H2,1-2H3,(H,55,56)/p-1/b7-5-,13-11-,14-12-,19-17-,21-18-/t39-,42-,43-,44+,45-,46-,47-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21,39,42-47,50-54H,3-4,6,8-10,15-16,20,22-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,14-12-,19-17-,21-18-/t39-,42-,43-,44+,45-,46-,47-/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][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:48])[O:57][CH2:37][C@H:39]([CH2:38][O:58][P:61]([OH:55])(=[O:56])[O:60][C@@H:47]1[C@H:45]([OH:53])[C@H:43]([OH:51])[C@@H:42]([OH:50])[C@H:44]([OH:52])[C@H:46]1[OH:54])[O:59][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:21]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
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