| Properties | Image |
|---|
| MNX_ID | MNXM229264 |
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| reference | slm:000453240 |
| formula | C52H87O16P2 |
| global charge | -3 |
| mol weight | 1030.2 |
| InChIKey | WGHUOBUDWALLGK-QHYJCOQISA-K |
| InChI | InChI=1S/C52H90O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-40-46(54)66-44(41-64-45(53)39-36-33-30-27-25-22-23-26-29-32-35-38-43(2)3)42-65-70(62,63)68-52-49(57)47(55)48(56)51(50(52)58)67-69(59,60)61/h5-6,8-9,11-12,14-15,17-18,20-21,43-44,47-52,55-58H,4,7,10,13,16,19,22-42H2,1-3H3,(H,62,63)(H2,59,60,61)/p-3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t44-,47+,48+,49-,50-,51-,52+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)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/C52H90O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-31-34-37-40-46(54)66-44(41-64-45(53)39-36-33-30-27-25-22-23-26-29-32-35-38-43(2)3)42-65-70(62,63)68-52-49(57)47(55)48(56)51(50(52)58)67-69(59,60)61/h5-6,8-9,11-12,14-15,17-18,20-21,43-44,47-52,55-58H,4,7,10,13,16,19,22-42H2,1-3H3,(H,62,63)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t44-,47+,48+,49-,50-,51-,52+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:24][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][C:46](=[O:54])[O:66][C@H:44]([CH2:41][O:64][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:25][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH:43]([CH3:2])[CH3:3])=[O:53])[CH2:42][O:65][P:70]([OH:62])(=[O:63])[O:68][C@H:52]1[C@H:49]([OH:57])[C@@H:47]([OH:55])[C@H:48]([OH:56])[C@@H:51]([O:67][P:69]([OH:59])([OH:60])=[O:61])[C@H:50]1[OH:58] |
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