| Properties | Image |
MNX_ID | MNXM937960 |
 |
reference | slm:000630345 |
formula | C93H155NO9P |
global charge | -1 |
mol weight | 1462.235 |
InChIKey | YMYXIHGNNOKGMJ-KRCXNPNASA-M |
InChI | InChI=1S/C93H156NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-47-49-51-53-55-57-60-63-66-69-72-75-78-81-84-92(96)100-88-90(89-102-104(98,99)101-87-86-94-91(95)83-80-77-74-71-68-65-62-59-30-27-24-21-18-15-12-9-6-3)103-93(97)85-82-79-76-73-70-67-64-61-58-56-54-52-50-48-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-36,39-42,62,65,71,74,90H,4-6,9,12-15,22-24,31-32,37-38,43-61,63-64,66-70,72-73,75-89H2,1-3H3,(H,94,95)(H,98,99)/p-1/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-33-,36-34-,41-39-,42-40-,65-62-,74-71-/t90-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
InChI (mnx) | InChI=1/C93H156NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-47-49-51-53-55-57-60-63-66-69-72-75-78-81-84-92(96)100-88-90(89-102-104(98,99)101-87-86-94-91(95)83-80-77-74-71-68-65-62-59-30-27-24-21-18-15-12-9-6-3)103-93(97)85-82-79-76-73-70-67-64-61-58-56-54-52-50-48-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-36,39-42,62,65,71,74,90H,4-6,9,12-15,22-24,31-32,37-38,43-61,63-64,66-70,72-73,75-89H2,1-3H3,(H,94,95)(H,98,99)/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-33-,36-34-,41-39-,42-40-,65-62-,74-71-/t90-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37]/[CH:39]=[CH:41]\[CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][CH2:75][CH2:78][CH2:81][CH2:84][C:92](=[O:96])[O:100][CH2:88][C@H:90]([CH2:89][O:102][P:104]([OH:98])(=[O:99])[O:101][CH2:87][CH2:86][N:94]=[C:91]([CH2:83][CH2:80][CH2:77]/[CH:74]=[CH:71]\[CH2:68]/[CH:65]=[CH:62]\[CH2:59]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:95])[O:103][C:93]([CH2:85][CH2:82][CH2:79][CH2:76][CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:97] |
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