| Properties | Image |
|---|
| MNX_ID | MNXM231701 |
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| reference | slm:000015839 |
| formula | C57H92O13P |
| global charge | -1 |
| mol weight | 1016.324 |
| InChIKey | XSYMOVMDIIIDKY-JHIQYOMDSA-M |
| InChI | InChI=1S/C57H93O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-50(58)67-47-49(48-68-71(65,66)70-57-55(63)53(61)52(60)54(62)56(57)64)69-51(59)46-44-42-40-38-36-34-31-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,31,36,38,49,52-57,60-64H,3-4,9-10,15-16,20,23,26-30,32-35,37,39-48H2,1-2H3,(H,65,66)/p-1/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,31-18-,38-36-/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\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C57H93O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-50(58)67-47-49(48-68-71(65,66)70-57-55(63)53(61)52(60)54(62)56(57)64)69-51(59)46-44-42-40-38-36-34-31-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,31,36,38,49,52-57,60-64H,3-4,9-10,15-16,20,23,26-30,32-35,37,39-48H2,1-2H3,(H,65,66)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,31-18-,38-36-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:50](=[O:58])[O:67][CH2:47][C@H:49]([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])[O:69][C:51]([CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:31]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:59] |
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