| Properties | Image |
|---|
| MNX_ID | MNXM345278 |
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| reference | slm:000469422 |
| formula | C41H64O19P3 |
| global charge | -5 |
| mol weight | 953.866 |
| InChIKey | WMIVYMOTZZZWKX-LXWILIRJSA-I |
| InChI | InChI=1S/C41H69O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(43)57-33(31-55-34(42)29-27-25-23-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h5,7,11-12,14-15,17-18,20-21,24,26,33,36-41,44-46H,3-4,6,8-10,13,16,19,22-23,25,27-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/p-5/b7-5-,12-11-,15-14-,18-17-,21-20-,26-24-/t33-,36-,37+,38+,39-,40-,41-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C41H69O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(43)57-33(31-55-34(42)29-27-25-23-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h5,7,11-12,14-15,17-18,20-21,24,26,33,36-41,44-46H,3-4,6,8-10,13,16,19,22-23,25,27-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b7-5-,12-11-,15-14-,18-17-,21-20-,26-24-/t33-,36-,37+,38+,39-,40-,41-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:30][C:35](=[O:43])[O:57][C@H:33]([CH2:31][O:55][C:34]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42])[CH2:32][O:56][P:63]([OH:53])(=[O:54])[O:60][C@@H:39]1[C@H:36]([OH:44])[C@H:37]([OH:45])[C@@H:40]([O:58][P:61]([OH:47])([OH:48])=[O:49])[C@H:41]([O:59][P:62]([OH:50])([OH:51])=[O:52])[C@H:38]1[OH:46] |
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