| Properties | Image |
|---|
| MNX_ID | MNXM343762 |
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| reference | slm:000430947 |
| formula | C49H80O19P3 |
| global charge | -5 |
| mol weight | 1066.082 |
| InChIKey | BBAYZTXMGCIHKE-SBRMHRFASA-I |
| InChI | InChI=1S/C49H85O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-43(51)65-41(39-63-42(50)37-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h5-6,8-9,11-12,14-15,17-18,20-21,41,44-49,52-54H,3-4,7,10,13,16,19,22-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/p-5/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t41-,44-,45-,46+,47+,48+,49+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)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/C49H85O19P3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-43(51)65-41(39-63-42(50)37-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h5-6,8-9,11-12,14-15,17-18,20-21,41,44-49,52-54H,3-4,7,10,13,16,19,22-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t41-,44-,45-,46+,47+,48+,49+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[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]\[CH2:22][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][CH2:38][C:43](=[O:51])[O:65][C@H:41]([CH2:39][O:63][C:42]([CH2:37][CH2:4][CH3:2])=[O:50])[CH2:40][O:64][P:71]([OH:61])(=[O:62])[O:68][C@H:47]1[C@H:44]([OH:52])[C@@H:45]([OH:53])[C@H:48]([O:66][P:69]([OH:55])([OH:56])=[O:57])[C@@H:49]([O:67][P:70]([OH:58])([OH:59])=[O:60])[C@H:46]1[OH:54] |
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