| Properties | Image |
|---|
| MNX_ID | MNXM342181 |
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| reference | slm:000018965 |
| formula | C37H60O13P |
| global charge | -1 |
| mol weight | 743.848 |
| InChIKey | PWYDDSCIGWYDDH-PRFAVFOESA-M |
| InChI | InChI=1S/C37H61O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(39)49-30(27-47-29(2)38)28-48-51(45,46)50-37-35(43)33(41)32(40)34(42)36(37)44/h4-5,7-8,10-11,13-14,16-17,30,32-37,40-44H,3,6,9,12,15,18-28H2,1-2H3,(H,45,46)/p-1/b5-4-,8-7-,11-10-,14-13-,17-16-/t30-,32-,33-,34+,35-,36-,37-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/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/C37H61O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(39)49-30(27-47-29(2)38)28-48-51(45,46)50-37-35(43)33(41)32(40)34(42)36(37)44/h4-5,7-8,10-11,13-14,16-17,30,32-37,40-44H,3,6,9,12,15,18-28H2,1-2H3,(H,45,46)/b5-4-,8-7-,11-10-,14-13-,17-16-/t30-,32-,33-,34+,35-,36-,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:31](=[O:39])[O:49][C@H:30]([CH2:27][O:47][C:29]([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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