| Properties | Image |
|---|
| MNX_ID | MNXM336248 |
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| reference | slm:000495033 |
| formula | C57H97O16P2 |
| global charge | -3 |
| mol weight | 1100.335 |
| InChIKey | IAODENWOFAJJGY-AYVQBDESSA-K |
| InChI | InChI=1S/C57H100O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-51(59)71-49(47-69-50(58)45-43-41-39-37-35-14-12-10-8-6-4-2)48-70-75(67,68)73-57-54(62)52(60)53(61)56(55(57)63)72-74(64,65)66/h10-13,16-17,19-20,22-23,25-26,49,52-57,60-63H,3-9,14-15,18,21,24,27-48H2,1-2H3,(H,67,68)(H2,64,65,66)/p-3/b12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t49-,52+,53+,54-,55-,56-,57+/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H100O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-51(59)71-49(47-69-50(58)45-43-41-39-37-35-14-12-10-8-6-4-2)48-70-75(67,68)73-57-54(62)52(60)53(61)56(55(57)63)72-74(64,65)66/h10-13,16-17,19-20,22-23,25-26,49,52-57,60-63H,3-9,14-15,18,21,24,27-48H2,1-2H3,(H,67,68)(H2,64,65,66)/b12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t49-,52+,53+,54-,55-,56-,57+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:51](=[O:59])[O:71][C@H:49]([CH2:47][O:69][C:50]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:58])[CH2:48][O:70][P:75]([OH:67])(=[O:68])[O:73][C@H:57]1[C@H:54]([OH:62])[C@@H:52]([OH:60])[C@H:53]([OH:61])[C@@H:56]([O:72][P:74]([OH:64])([OH:65])=[O:66])[C@H:55]1[OH:63] |
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