| Properties | Image |
|---|
| MNX_ID | MNXM343956 |
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| reference | slm:000019078 |
| formula | C37H60O13P |
| global charge | -1 |
| mol weight | 743.848 |
| InChIKey | YKAGYEUOYRMBSB-ICEZDKGMSA-M |
| InChI | InChI=1S/C37H61O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-31(39)49-29(27-47-30(38)25-4-2)28-48-51(45,46)50-37-35(43)33(41)32(40)34(42)36(37)44/h8-9,11-12,14-15,17-18,20-21,29,32-37,40-44H,3-7,10,13,16,19,22-28H2,1-2H3,(H,45,46)/p-1/b9-8-,12-11-,15-14-,18-17-,21-20-/t29-,32-,33-,34+,35-,36-,37-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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/C37H61O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-31(39)49-29(27-47-30(38)25-4-2)28-48-51(45,46)50-37-35(43)33(41)32(40)34(42)36(37)44/h8-9,11-12,14-15,17-18,20-21,29,32-37,40-44H,3-7,10,13,16,19,22-28H2,1-2H3,(H,45,46)/b9-8-,12-11-,15-14-,18-17-,21-20-/t29-,32-,33-,34+,35-,36-,37-/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][CH2:26][C:31](=[O:39])[O:49][C@H:29]([CH2:27][O:47][C:30]([CH2:25][CH2:4][CH3:2])=[O:38])[CH2:28][O:48][P:51]([OH:45])(=[O:46])[O:50][C@@H:37]1[C@H:35]([OH:43])[C@H:33]([OH:41])[C@@H:32]([OH:40])[C@H:34]([OH:42])[C@H:36]1[OH:44] |
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