| Properties | Image |
|---|
| MNX_ID | MNXM329863 |
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| reference | slm:000436955 |
| formula | C61H107O16P2 |
| global charge | -3 |
| mol weight | 1158.459 |
| InChIKey | IOSFAJNIFLZYBS-YKCHXRSGSA-K |
| InChI | InChI=1S/C61H110O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-55(63)75-53(51-73-54(62)49-47-45-43-41-39-37-16-14-12-10-8-6-4-2)52-74-79(71,72)77-61-58(66)56(64)57(65)60(59(61)67)76-78(68,69)70/h11,13-14,16-18,20-21,23-24,53,56-61,64-67H,3-10,12,15,19,22,25-52H2,1-2H3,(H,71,72)(H2,68,69,70)/p-3/b13-11-,16-14-,18-17-,21-20-,24-23-/t53-,56-,57-,58-,59-,60+,61-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C61H110O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-55(63)75-53(51-73-54(62)49-47-45-43-41-39-37-16-14-12-10-8-6-4-2)52-74-79(71,72)77-61-58(66)56(64)57(65)60(59(61)67)76-78(68,69)70/h11,13-14,16-18,20-21,23-24,53,56-61,64-67H,3-10,12,15,19,22,25-52H2,1-2H3,(H,71,72)(H2,68,69,70)/b13-11-,16-14-,18-17-,21-20-,24-23-/t53-,56-,57-,58-,59-,60+,61-/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: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][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:55](=[O:63])[O:75][C@H:53]([CH2:51][O:73][C:54]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:62])[CH2:52][O:74][P:79]([OH:71])(=[O:72])[O:77][C@@H:61]1[C@H:58]([OH:66])[C@H:56]([OH:64])[C@@H:57]([OH:65])[C@H:60]([O:76][P:78]([OH:68])([OH:69])=[O:70])[C@H:59]1[OH:67] |
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