| Properties | Image |
|---|
| MNX_ID | MNXM966301 |
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| reference | slm:000658686 |
| formula | C81H139NO9P |
| global charge | -1 |
| mol weight | 1301.975 |
| InChIKey | QWJBZWWZOLSBNZ-KTVUFKENSA-M |
| InChI | InChI=1S/C81H140NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-39-41-43-45-47-49-51-53-55-57-59-61-64-67-70-73-81(85)91-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-15-12-9-6-3)76-88-80(84)72-69-66-63-60-58-56-54-52-50-48-46-44-42-40-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h7,10,16-19,22-25,28-31,34-37,39,41,78H,4-6,8-9,11-15,20-21,26-27,32-33,38,40,42-77H2,1-3H3,(H,82,83)(H,86,87)/p-1/b10-7-,18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,36-34-,37-35-,41-39-/t78-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H140NO9P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-39-41-43-45-47-49-51-53-55-57-59-61-64-67-70-73-81(85)91-78(77-90-92(86,87)89-75-74-82-79(83)71-68-65-62-15-12-9-6-3)76-88-80(84)72-69-66-63-60-58-56-54-52-50-48-46-44-42-40-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h7,10,16-19,22-25,28-31,34-37,39,41,78H,4-6,8-9,11-15,20-21,26-27,32-33,38,40,42-77H2,1-3H3,(H,82,83)(H,86,87)/b10-7-,18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,36-34-,37-35-,41-39-/t78-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38]/[CH:39]=[CH:41]\[CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:64][CH2:67][CH2:70][CH2:73][C:81](=[O:85])[O:91][C@H:78]([CH2:76][O:88][C:80]([CH2:72][CH2:69][CH2:66][CH2:63][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:37]=[CH:35]\[CH2:33]/[CH:31]=[CH:29]\[CH2:27]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:84])[CH2:77][O:90][P:92]([OH:86])(=[O:87])[O:89][CH2:75][CH2:74][N:82]=[C:79]([CH2:71][CH2:68][CH2:65][CH2:62][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:83] |
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