| Properties | Image |
|---|
| MNX_ID | MNXM320976 |
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| reference | slm:000430350 |
| formula | C47H82O19P3 |
| global charge | -5 |
| mol weight | 1044.076 |
| InChIKey | GHSDJLARJKYILL-FDXXYXFXSA-I |
| InChI | InChI=1S/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h6,8,12,14,18,21,39,42-47,50-52H,3-5,7,9-11,13,15-17,19-20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/p-5/b8-6-,14-12-,21-18-/t39-,42-,43-,44+,45+,46+,47+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H87O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h6,8,12,14,18,21,39,42-47,50-52H,3-5,7,9-11,13,15-17,19-20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b8-6-,14-12-,21-18-/t39-,42-,43-,44+,45+,46+,47+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:41](=[O:49])[O:63][C@H:39]([CH2:37][O:61][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23]/[CH:21]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:48])[CH2:38][O:62][P:69]([OH:59])(=[O:60])[O:66][C@H:45]1[C@H:42]([OH:50])[C@@H:43]([OH:51])[C@H:46]([O:64][P:67]([OH:53])([OH:54])=[O:55])[C@@H:47]([O:65][P:68]([OH:56])([OH:57])=[O:58])[C@H:44]1[OH:52] |
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