| Properties | Image |
|---|
| MNX_ID | MNXM342507 |
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| reference | slm:000456459 |
| formula | C37H67O16P2 |
| global charge | -3 |
| mol weight | 829.875 |
| InChIKey | PICRWGKOIDUYEQ-AQDRHBFLSA-K |
| InChI | InChI=1S/C37H70O16P2/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)51-30(27-49-29(2)38)28-50-55(47,48)53-37-34(42)32(40)33(41)36(35(37)43)52-54(44,45)46/h10-11,30,32-37,40-43H,3-9,12-28H2,1-2H3,(H,47,48)(H2,44,45,46)/p-3/b11-10-/t30-,32+,33+,34-,35-,36-,37+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H70O16P2/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)51-30(27-49-29(2)38)28-50-55(47,48)53-37-34(42)32(40)33(41)36(35(37)43)52-54(44,45)46/h10-11,30,32-37,40-43H,3-9,12-28H2,1-2H3,(H,47,48)(H2,44,45,46)/b11-10-/t30-,32+,33+,34-,35-,36-,37+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:31](=[O:39])[O:51][C@H:30]([CH2:27][O:49][C:29]([CH3:2])=[O:38])[CH2:28][O:50][P:55]([OH:47])(=[O:48])[O:53][C@H:37]1[C@H:34]([OH:42])[C@@H:32]([OH:40])[C@H:33]([OH:41])[C@@H:36]([O:52][P:54]([OH:44])([OH:45])=[O:46])[C@H:35]1[OH:43] |
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