| Properties | Image |
|---|
| MNX_ID | MNXM225168 |
 |
| reference | slm:000459525 |
| formula | C71H115O16P2 |
| global charge | -3 |
| mol weight | 1286.633 |
| InChIKey | KHZJTWOTERVGHB-IKBTUNOUSA-K |
| InChI | InChI=1S/C71H118O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-35-37-39-41-43-45-47-49-51-53-55-57-59-64(72)83-61-63(62-84-89(81,82)87-71-68(76)66(74)70(67(75)69(71)77)86-88(78,79)80)85-65(73)60-58-56-54-52-50-48-46-44-42-40-38-36-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,33-35,38,40,63,66-71,74-77H,3-4,6,8-10,15-16,21-22,27-28,32,36-37,39,41-62H2,1-2H3,(H,81,82)(H2,78,79,80)/p-3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,33-30-,35-34-,40-38-/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\CCCCCCCCCCCCC(=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](O)[C@H]1O)OC(=O)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H118O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-35-37-39-41-43-45-47-49-51-53-55-57-59-64(72)83-61-63(62-84-89(81,82)87-71-68(76)66(74)70(67(75)69(71)77)86-88(78,79)80)85-65(73)60-58-56-54-52-50-48-46-44-42-40-38-36-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,33-35,38,40,63,66-71,74-77H,3-4,6,8-10,15-16,21-22,27-28,32,36-37,39,41-62H2,1-2H3,(H,81,82)(H2,78,79,80)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,33-30-,35-34-,40-38-/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:29]=[CH:31]\[CH2:32]/[CH:34]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][C:64](=[O:72])[O:83][CH2:61][C@H:63]([CH2:62][O:84][P:89]([OH:81])(=[O:82])[O:87][C@H:71]1[C@H:68]([OH:76])[C@@H:66]([OH:74])[C@H:70]([O:86][P:88]([OH:78])([OH:79])=[O:80])[C@@H:67]([OH:75])[C@H:69]1[OH:77])[O:85][C:65]([CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:33]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:73] |
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