| Properties | Image |
|---|
| MNX_ID | MNXM342589 |
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| reference | slm:000430871 |
| formula | C47H78O19P3 |
| global charge | -5 |
| mol weight | 1040.044 |
| InChIKey | JQXFTTWHVCWNJP-HCAUKKMESA-I |
| InChI | InChI=1S/C47H83O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-41(49)63-40(37-61-39(2)48)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/h4-5,7-8,10-11,13-14,16-17,40,42-47,50-52H,3,6,9,12,15,18-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/p-5/b5-4-,8-7-,11-10-,14-13-,17-16-/t40-,42-,43-,44+,45+,46+,47+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)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/C47H83O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-41(49)63-40(37-61-39(2)48)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/h4-5,7-8,10-11,13-14,16-17,40,42-47,50-52H,3,6,9,12,15,18-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b5-4-,8-7-,11-10-,14-13-,17-16-/t40-,42-,43-,44+,45+,46+,47+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][C:41](=[O:49])[O:63][C@H:40]([CH2:37][O:61][C:39]([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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