| Properties | Image |
|---|
| MNX_ID | MNXM213215 |
 |
| reference | slm:000433560 |
| formula | C46H75O16P2 |
| global charge | -3 |
| mol weight | 946.038 |
| InChIKey | HZCARCHEZBMMQS-YBJXZSBISA-K |
| InChI | InChI=1S/C46H78O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-40(48)60-38(35-58-39(47)33-30-27-24-22-19-20-23-26-29-32-37(2)3)36-59-64(56,57)62-46-43(51)41(49)42(50)45(44(46)52)61-63(53,54)55/h5-6,8-9,11-12,14-15,17-18,25,28,37-38,41-46,49-52H,4,7,10,13,16,19-24,26-27,29-36H2,1-3H3,(H,56,57)(H2,53,54,55)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-,28-25-/t38-,41-,42-,43-,44-,45+,46-/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)CCCCCCCCCCCC(C)C)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/C46H78O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-40(48)60-38(35-58-39(47)33-30-27-24-22-19-20-23-26-29-32-37(2)3)36-59-64(56,57)62-46-43(51)41(49)42(50)45(44(46)52)61-63(53,54)55/h5-6,8-9,11-12,14-15,17-18,25,28,37-38,41-46,49-52H,4,7,10,13,16,19-24,26-27,29-36H2,1-3H3,(H,56,57)(H2,53,54,55)/b6-5-,9-8-,12-11-,15-14-,18-17-,28-25-/t38-,41-,42-,43-,44-,45+,46-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH: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]\[CH2:21]/[CH:25]=[CH:28]\[CH2:31][CH2:34][C:40](=[O:48])[O:60][C@H:38]([CH2:35][O:58][C:39]([CH2:33][CH2:30][CH2:27][CH2:24][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH:37]([CH3:2])[CH3:3])=[O:47])[CH2:36][O:59][P:64]([OH:56])(=[O:57])[O:62][C@@H:46]1[C@H:43]([OH:51])[C@H:41]([OH:49])[C@@H:42]([OH:50])[C@H:45]([O:61][P:63]([OH:53])([OH:54])=[O:55])[C@H:44]1[OH:52] |
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