| Properties | Image |
|---|
| MNX_ID | MNXM185442 |
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| reference | slm:000014454 |
| formula | C45H80O13P |
| global charge | -1 |
| mol weight | 860.096 |
| InChIKey | YBKWUGDVBMRIKM-RMQRKHBHSA-M |
| InChI | InChI=1S/C45H81O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(46)55-35-37(57-39(47)34-32-30-28-26-23-14-12-10-8-6-4-2)36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52/h11,13,16-17,19-20,37,40-45,48-52H,3-10,12,14-15,18,21-36H2,1-2H3,(H,53,54)/p-1/b13-11-,17-16-,20-19-/t37-,40-,41-,42+,43-,44-,45-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=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)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H81O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(46)55-35-37(57-39(47)34-32-30-28-26-23-14-12-10-8-6-4-2)36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52/h11,13,16-17,19-20,37,40-45,48-52H,3-10,12,14-15,18,21-36H2,1-2H3,(H,53,54)/b13-11-,17-16-,20-19-/t37-,40-,41-,42+,43-,44-,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:46])[O:55][CH2:35][C@H:37]([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])[O:57][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47] |
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