| Properties | Image |
|---|
| MNX_ID | MNXM180717 |
 |
| reference | slm:000042969 |
| formula | C37H60O12P |
| global charge | -1 |
| mol weight | 727.849 |
| InChIKey | LFCOANHXXZOLDQ-HEIGEXCZSA-M |
| InChI | InChI=1S/C37H61O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31(39)47-28-30(38)29-48-50(45,46)49-37-35(43)33(41)32(40)34(42)36(37)44/h3-4,6-7,9-10,12-13,15-16,18-19,30,32-38,40-44H,2,5,8,11,14,17,20-29H2,1H3,(H,45,46)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/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\C/C=C\CCCCCCCCC(=O)OC[C@@H](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/C37H61O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31(39)47-28-30(38)29-48-50(45,46)49-37-35(43)33(41)32(40)34(42)36(37)44/h3-4,6-7,9-10,12-13,15-16,18-19,30,32-38,40-44H,2,5,8,11,14,17,20-29H2,1H3,(H,45,46)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t30-,32-,33-,34+,35-,36-,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][C:31](=[O:39])[O:47][CH2:28][C@H:30]([CH2:29][O:48][P:50]([OH:45])(=[O:46])[O:49][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])[OH:38] |
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