| Properties | Image |
|---|
| MNX_ID | MNXM342223 |
 |
| reference | slm:000018968 |
| formula | C31H54O13P |
| global charge | -1 |
| mol weight | 665.734 |
| InChIKey | KLAYBVPCIBYBRN-DEMUDSHQSA-M |
| InChI | InChI=1S/C31H55O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(33)43-24(21-41-23(2)32)22-42-45(39,40)44-31-29(37)27(35)26(34)28(36)30(31)38/h7-8,10-11,24,26-31,34-38H,3-6,9,12-22H2,1-2H3,(H,39,40)/p-1/b8-7-,11-10-/t24-,26-,27-,28+,29-,30-,31-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(C)=O)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/C31H55O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(33)43-24(21-41-23(2)32)22-42-45(39,40)44-31-29(37)27(35)26(34)28(36)30(31)38/h7-8,10-11,24,26-31,34-38H,3-6,9,12-22H2,1-2H3,(H,39,40)/b8-7-,11-10-/t24-,26-,27-,28+,29-,30-,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:25](=[O:33])[O:43][C@H:24]([CH2:21][O:41][C:23]([CH3:2])=[O:32])[CH2:22][O:42][P:45]([OH:39])(=[O:40])[O:44][C@@H:31]1[C@H:29]([OH:37])[C@H:27]([OH:35])[C@@H:26]([OH:34])[C@H:28]([OH:36])[C@H:30]1[OH:38] |
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