| Properties | Image |
|---|
| MNX_ID | MNXM342951 |
 |
| reference | slm:000019016 |
| formula | C27H48O13P |
| global charge | -1 |
| mol weight | 611.642 |
| InChIKey | FJZDKIOHXTYFMV-CJXBLMQXSA-M |
| InChI | InChI=1S/C27H49O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)39-20(17-37-19(2)28)18-38-41(35,36)40-27-25(33)23(31)22(30)24(32)26(27)34/h8-9,20,22-27,30-34H,3-7,10-18H2,1-2H3,(H,35,36)/p-1/b9-8-/t20-,22-,23-,24+,25-,26-,27-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=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/C27H49O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)39-20(17-37-19(2)28)18-38-41(35,36)40-27-25(33)23(31)22(30)24(32)26(27)34/h8-9,20,22-27,30-34H,3-7,10-18H2,1-2H3,(H,35,36)/b9-8-/t20-,22-,23-,24+,25-,26-,27-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:21](=[O:29])[O:39][C@H:20]([CH2:17][O:37][C:19]([CH3:2])=[O:28])[CH2:18][O:38][P:41]([OH:35])(=[O:36])[O:40][C@@H:27]1[C@H:25]([OH:33])[C@H:23]([OH:31])[C@@H:22]([OH:30])[C@H:24]([OH:32])[C@H:26]1[OH:34] |
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