| Properties | Image |
|---|
| MNX_ID | MNXM335065 |
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| reference | slm:000437077 |
| formula | C30H53O16P2 |
| global charge | -3 |
| mol weight | 731.686 |
| InChIKey | VBICJBYSJRMWLH-MSBCKPNFSA-K |
| InChI | InChI=1S/C30H56O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(32)42-20-22(44-23(31)4-2)21-43-48(40,41)46-30-27(35)25(33)26(34)29(28(30)36)45-47(37,38)39/h11-12,22,25-30,33-36H,3-10,13-21H2,1-2H3,(H,40,41)(H2,37,38,39)/p-3/b12-11-/t22-,25-,26-,27-,28-,29+,30-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C30H56O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(32)42-20-22(44-23(31)4-2)21-43-48(40,41)46-30-27(35)25(33)26(34)29(28(30)36)45-47(37,38)39/h11-12,22,25-30,33-36H,3-10,13-21H2,1-2H3,(H,40,41)(H2,37,38,39)/b12-11-/t22-,25-,26-,27-,28-,29+,30-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:24](=[O:32])[O:42][CH2:20][C@H:22]([CH2:21][O:43][P:48]([OH:40])(=[O:41])[O:46][C@@H:30]1[C@H:27]([OH:35])[C@H:25]([OH:33])[C@@H:26]([OH:34])[C@H:29]([O:45][P:47]([OH:37])([OH:38])=[O:39])[C@H:28]1[OH:36])[O:44][C:23]([CH2:4][CH3:2])=[O:31] |
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