| Properties | Image |
|---|
| MNX_ID | MNXM345208 |
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| reference | slm:000496055 |
| formula | C57H98O19P3 |
| global charge | -5 |
| mol weight | 1180.314 |
| InChIKey | ZSDSSIGWAQSWIN-JSTFRFEFSA-I |
| InChI | InChI=1S/C57H103O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-51(59)73-49(47-71-50(58)45-43-41-39-10-8-6-4-2)48-72-79(69,70)76-55-52(60)53(61)56(74-77(63,64)65)57(54(55)62)75-78(66,67)68/h11-12,14-15,17-18,20-21,23-24,49,52-57,60-62H,3-10,13,16,19,22,25-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/p-5/b12-11-,15-14-,18-17-,21-20-,24-23-/t49-,52-,53+,54+,55-,56-,57-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C57H103O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-51(59)73-49(47-71-50(58)45-43-41-39-10-8-6-4-2)48-72-79(69,70)76-55-52(60)53(61)56(74-77(63,64)65)57(54(55)62)75-78(66,67)68/h11-12,14-15,17-18,20-21,23-24,49,52-57,60-62H,3-10,13,16,19,22,25-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/b12-11-,15-14-,18-17-,21-20-,24-23-/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:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:51](=[O:59])[O:73][C@H:49]([CH2:47][O:71][C:50]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58])[CH2:48][O:72][P:79]([OH:69])(=[O:70])[O:76][C@@H:55]1[C@H:52]([OH:60])[C@H:53]([OH:61])[C@@H:56]([O:74][P:77]([OH:63])([OH:64])=[O:65])[C@H:57]([O:75][P:78]([OH:66])([OH:67])=[O:68])[C@H:54]1[OH:62] |
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