| Properties | Image |
|---|
| MNX_ID | MNXM342384 |
 |
| reference | slm:000492084 |
| formula | C43H71O16P2 |
| global charge | -3 |
| mol weight | 905.973 |
| InChIKey | XTMVGUFKKYCHEK-ICNVMGLFSA-K |
| InChI | InChI=1S/C43H74O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-37(45)57-36(33-55-35(2)44)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h7-8,10-11,13-14,16-17,19-20,36,38-43,46-49H,3-6,9,12,15,18,21-34H2,1-2H3,(H,53,54)(H2,50,51,52)/p-3/b8-7-,11-10-,14-13-,17-16-,20-19-/t36-,38-,39-,40-,41-,42+,43-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C43H74O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-37(45)57-36(33-55-35(2)44)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h7-8,10-11,13-14,16-17,19-20,36,38-43,46-49H,3-6,9,12,15,18,21-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b8-7-,11-10-,14-13-,17-16-,20-19-/t36-,38-,39-,40-,41-,42+,43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][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][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][C:37](=[O:45])[O:57][C@H:36]([CH2:33][O:55][C:35]([CH3:2])=[O:44])[CH2:34][O:56][P:61]([OH:53])(=[O:54])[O:59][C@@H:43]1[C@H:40]([OH:48])[C@H:38]([OH:46])[C@@H:39]([OH:47])[C@H:42]([O:58][P:60]([OH:50])([OH:51])=[O:52])[C@H:41]1[OH:49] |
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