| Properties | Image |
|---|
| MNX_ID | MNXM182050 |
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| reference | slm:000014382 |
| formula | C57H94O13P |
| global charge | -1 |
| mol weight | 1018.34 |
| InChIKey | MWSFFUCYLBKVSK-XMFWZXHMSA-M |
| InChI | InChI=1S/C57H95O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-51(59)69-49(48-68-71(65,66)70-57-55(63)53(61)52(60)54(62)56(57)64)47-67-50(58)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-29,49,52-57,60-64H,3-4,6,8-10,15-16,21-22,25,30-48H2,1-2H3,(H,65,66)/p-1/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,28-26-,29-27-/t49-,52-,53-,54+,55-,56-,57-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C57H95O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-51(59)69-49(48-68-71(65,66)70-57-55(63)53(61)52(60)54(62)56(57)64)47-67-50(58)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-29,49,52-57,60-64H,3-4,6,8-10,15-16,21-22,25,30-48H2,1-2H3,(H,65,66)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,28-26-,29-27-/t49-,52-,53-,54+,55-,56-,57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:28]\[CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:51](=[O:59])[O:69][C@H:49]([CH2:47][O:67][C:50]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58])[CH2:48][O:68][P:71]([OH:65])(=[O:66])[O:70][C@@H:57]1[C@H:55]([OH:63])[C@H:53]([OH:61])[C@@H:52]([OH:60])[C@H:54]([OH:62])[C@H:56]1[OH:64] |
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