| Properties | Image |
|---|
| MNX_ID | MNXM193572 |
 |
| reference | slm:000439315 |
| formula | C71H113O22P4 |
| global charge | -7 |
| mol weight | 1442.559 |
| InChIKey | GNGLWVSHBZOZIF-JRHIEVQISA-G |
| InChI | InChI=1S/C71H120O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-65(73)89-63(61-87-64(72)59-57-55-53-51-49-47-45-43-41-39-37-26-24-22-20-18-16-14-12-10-8-6-4-2)62-88-97(85,86)93-68-66(74)69(90-94(76,77)78)71(92-96(82,83)84)70(67(68)75)91-95(79,80)81/h5-8,11-14,17-20,23-26,28-29,31-32,39,41,63,66-71,74-75H,3-4,9-10,15-16,21-22,27,30,33-38,40,42-62H2,1-2H3,(H,85,86)(H2,76,77,78)(H2,79,80,81)(H2,82,83,84)/p-7/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,41-39-/t63-,66+,67+,68-,69+,70-,71-/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)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C71H120O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60-65(73)89-63(61-87-64(72)59-57-55-53-51-49-47-45-43-41-39-37-26-24-22-20-18-16-14-12-10-8-6-4-2)62-88-97(85,86)93-68-66(74)69(90-94(76,77)78)71(92-96(82,83)84)70(67(68)75)91-95(79,80)81/h5-8,11-14,17-20,23-26,28-29,31-32,39,41,63,66-71,74-75H,3-4,9-10,15-16,21-22,27,30,33-38,40,42-62H2,1-2H3,(H,85,86)(H2,76,77,78)(H2,79,80,81)(H2,82,83,84)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,41-39-/t63-,66+,67+,68-,69+,70-,71-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][C:65](=[O:73])[O:89][C@H:63]([CH2:61][O:87][C:64]([CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:72])[CH2:62][O:88][P:97]([OH:85])(=[O:86])[O:93][C@@H:68]1[C@H:66]([OH:74])[C@H:69]([O:90][P:94]([OH:76])([OH:77])=[O:78])[C@@H:71]([O:92][P:96]([OH:82])([OH:83])=[O:84])[C@H:70]([O:91][P:95]([OH:79])([OH:80])=[O:81])[C@H:67]1[OH:75] |
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