| Properties | Image |
|---|
| MNX_ID | MNXM344068 |
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| reference | slm:000019086 |
| formula | C39H64O13P |
| global charge | -1 |
| mol weight | 771.902 |
| InChIKey | YMLLEVBNIAPVBS-BKHWISEGSA-M |
| InChI | InChI=1S/C39H65O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-33(41)51-31(29-49-32(40)27-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)36(44)38(39)46/h8-9,11-12,14-15,17-18,20-21,31,34-39,42-46H,3-7,10,13,16,19,22-30H2,1-2H3,(H,47,48)/p-1/b9-8-,12-11-,15-14-,18-17-,21-20-/t31-,34-,35-,36+,37-,38-,39-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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/C39H65O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-33(41)51-31(29-49-32(40)27-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)36(44)38(39)46/h8-9,11-12,14-15,17-18,20-21,31,34-39,42-46H,3-7,10,13,16,19,22-30H2,1-2H3,(H,47,48)/b9-8-,12-11-,15-14-,18-17-,21-20-/t31-,34-,35-,36+,37-,38-,39-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][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]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][C:33](=[O:41])[O:51][C@H:31]([CH2:29][O:49][C:32]([CH2:27][CH2:4][CH3:2])=[O:40])[CH2:30][O:50][P:53]([OH:47])(=[O:48])[O:52][C@@H:39]1[C@H:37]([OH:45])[C@H:35]([OH:43])[C@@H:34]([OH:42])[C@H:36]([OH:44])[C@H:38]1[OH:46] |
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