| Properties | Image |
|---|
| MNX_ID | MNXM276491 |
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| reference | slm:000461231 |
| formula | C37H59O16P2 |
| global charge | -3 |
| mol weight | 821.811 |
| InChIKey | GXLBWYIZFPHQLS-WJHYAZLNSA-K |
| InChI | InChI=1S/C37H62O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-30(38)49-27-29(51-31(39)25-4-2)28-50-55(47,48)53-37-34(42)32(40)36(33(41)35(37)43)52-54(44,45)46/h8-9,11-12,14-15,17-18,20-21,29,32-37,40-43H,3-7,10,13,16,19,22-28H2,1-2H3,(H,47,48)(H2,44,45,46)/p-3/b9-8-,12-11-,15-14-,18-17-,21-20-/t29-,32-,33+,34-,35-,36+,37+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-30(38)49-27-29(51-31(39)25-4-2)28-50-55(47,48)53-37-34(42)32(40)36(33(41)35(37)43)52-54(44,45)46/h8-9,11-12,14-15,17-18,20-21,29,32-37,40-43H,3-7,10,13,16,19,22-28H2,1-2H3,(H,47,48)(H2,44,45,46)/b9-8-,12-11-,15-14-,18-17-,21-20-/t29-,32-,33+,34-,35-,36+,37+/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]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:26][C:30](=[O:38])[O:49][CH2:27][C@H:29]([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:36]([O:52][P:54]([OH:44])([OH:45])=[O:46])[C@@H:33]([OH:41])[C@H:35]1[OH:43])[O:51][C:31]([CH2:25][CH2:4][CH3:2])=[O:39] |
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