| Properties | Image |
|---|
| MNX_ID | MNXM343389 |
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| reference | slm:000437319 |
| formula | C35H59O16P2 |
| global charge | -3 |
| mol weight | 797.789 |
| InChIKey | CBPWQBCMBFDRAD-GGKHCMQTSA-K |
| InChI | InChI=1S/C35H62O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(37)49-27(25-47-28(36)23-4-2)26-48-53(45,46)51-35-32(40)30(38)31(39)34(33(35)41)50-52(42,43)44/h8-9,11-12,14-15,27,30-35,38-41H,3-7,10,13,16-26H2,1-2H3,(H,45,46)(H2,42,43,44)/p-3/b9-8-,12-11-,15-14-/t27-,30-,31-,32-,33-,34+,35-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCC)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/C35H62O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(37)49-27(25-47-28(36)23-4-2)26-48-53(45,46)51-35-32(40)30(38)31(39)34(33(35)41)50-52(42,43)44/h8-9,11-12,14-15,27,30-35,38-41H,3-7,10,13,16-26H2,1-2H3,(H,45,46)(H2,42,43,44)/b9-8-,12-11-,15-14-/t27-,30-,31-,32-,33-,34+,35-/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][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][C:29](=[O:37])[O:49][C@H:27]([CH2:25][O:47][C:28]([CH2:23][CH2:4][CH3:2])=[O:36])[CH2:26][O:48][P:53]([OH:45])(=[O:46])[O:51][C@@H:35]1[C@H:32]([OH:40])[C@H:30]([OH:38])[C@@H:31]([OH:39])[C@H:34]([O:50][P:52]([OH:42])([OH:43])=[O:44])[C@H:33]1[OH:41] |
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