| Properties | Image |
|---|
| MNX_ID | MNXM342366 |
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| reference | slm:000450051 |
| formula | C43H68O19P3 |
| global charge | -5 |
| mol weight | 981.92 |
| InChIKey | PWASXOFRYWCFLX-DZAXCABNSA-I |
| InChI | InChI=1S/C43H73O19P3/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)59-36(33-57-35(2)44)34-58-65(55,56)62-43-39(47)41(60-63(49,50)51)38(46)42(40(43)48)61-64(52,53)54/h4-5,7-8,10-11,13-14,16-17,19-20,36,38-43,46-48H,3,6,9,12,15,18,21-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/p-5/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t36-,38-,39-,40-,41-,42+,43-/m1/s1 |
| SMILES | CC/C=C\C/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](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C43H73O19P3/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)59-36(33-57-35(2)44)34-58-65(55,56)62-43-39(47)41(60-63(49,50)51)38(46)42(40(43)48)61-64(52,53)54/h4-5,7-8,10-11,13-14,16-17,19-20,36,38-43,46-48H,3,6,9,12,15,18,21-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b5-4-,8-7-,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]/[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][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][C:37](=[O:45])[O:59][C@H:36]([CH2:33][O:57][C:35]([CH3:2])=[O:44])[CH2:34][O:58][P:65]([OH:55])(=[O:56])[O:62][C@@H:43]1[C@H:39]([OH:47])[C@H:41]([O:60][P:63]([OH:49])([OH:50])=[O:51])[C@@H:38]([OH:46])[C@H:42]([O:61][P:64]([OH:52])([OH:53])=[O:54])[C@H:40]1[OH:48] |
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