| Properties | Image |
|---|
| MNX_ID | MNXM342812 |
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| reference | slm:000443681 |
| formula | C37H55O22P4 |
| global charge | -7 |
| mol weight | 975.721 |
| InChIKey | WCEXTUHODJXYIW-RMMZBAQASA-G |
| InChI | InChI=1S/C37H62O22P4/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)55-30(27-53-29(2)38)28-54-63(51,52)59-34-32(40)35(56-60(42,43)44)37(58-62(48,49)50)36(33(34)41)57-61(45,46)47/h4-5,7-8,10-11,13-14,16-17,19-20,30,32-37,40-41H,3,6,9,12,15,18,21-28H2,1-2H3,(H,51,52)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)/p-7/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t30-,32+,33+,34-,35+,36-,37-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H62O22P4/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)55-30(27-53-29(2)38)28-54-63(51,52)59-34-32(40)35(56-60(42,43)44)37(58-62(48,49)50)36(33(34)41)57-61(45,46)47/h4-5,7-8,10-11,13-14,16-17,19-20,30,32-37,40-41H,3,6,9,12,15,18,21-28H2,1-2H3,(H,51,52)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t30-,32+,33+,34-,35+,36-,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:31](=[O:39])[O:55][C@H:30]([CH2:27][O:53][C:29]([CH3:2])=[O:38])[CH2:28][O:54][P:63]([OH:51])(=[O:52])[O:59][C@@H:34]1[C@H:32]([OH:40])[C@H:35]([O:56][P:60]([OH:42])([OH:43])=[O:44])[C@@H:37]([O:58][P:62]([OH:48])([OH:49])=[O:50])[C@H:36]([O:57][P:61]([OH:45])([OH:46])=[O:47])[C@H:33]1[OH:41] |
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