| Properties | Image |
|---|
| MNX_ID | MNXM200686 |
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| reference | slm:000433170 |
| formula | C53H87O16P2 |
| global charge | -3 |
| mol weight | 1042.211 |
| InChIKey | CCRDVCBIFTWCLL-BDWCYMPWSA-K |
| InChI | InChI=1S/C53H90O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(55)67-45(44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62)43-65-46(54)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,26,28,32,34,45,48-53,56-59H,3-10,15-16,21,24-25,27,29-31,33,35-44H2,1-2H3,(H,63,64)(H2,60,61,62)/p-3/b13-11-,14-12-,19-17-,20-18-,23-22-,28-26-,34-32-/t45-,48-,49-,50-,51-,52+,53-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)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/C53H90O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(55)67-45(44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62)43-65-46(54)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,26,28,32,34,45,48-53,56-59H,3-10,15-16,21,24-25,27,29-31,33,35-44H2,1-2H3,(H,63,64)(H2,60,61,62)/b13-11-,14-12-,19-17-,20-18-,23-22-,28-26-,34-32-/t45-,48-,49-,50-,51-,52+,53-/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:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:55])[O:67][C@H:45]([CH2:43][O:65][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[CH2:44][O:66][P:71]([OH:63])(=[O:64])[O:69][C@@H:53]1[C@H:50]([OH:58])[C@H:48]([OH:56])[C@@H:49]([OH:57])[C@H:52]([O:68][P:70]([OH:60])([OH:61])=[O:62])[C@H:51]1[OH:59] |
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