| Properties | Image |
|---|
| MNX_ID | MNXM938754 |
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| reference | slm:000631139 |
| formula | C61H103NO9P |
| global charge | -1 |
| mol weight | 1025.467 |
| InChIKey | XEMORHMRRLRDOF-ZSHKCWBISA-M |
| InChI | InChI=1S/C61H104NO9P/c1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-61(65)68-56-59(71-58(3)63)57-70-72(66,67)69-55-54-62-60(64)52-50-48-46-44-42-40-38-19-17-15-13-11-9-7-5-2/h6-9,12-15,18-20,22-23,25-26,38,59H,4-5,10-11,16-17,21,24,27-37,39-57H2,1-3H3,(H,62,64)(H,66,67)/p-1/b8-6-,9-7-,14-12-,15-13-,20-18-,23-22-,26-25-,38-19-/t59-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C61H104NO9P/c1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-61(65)68-56-59(71-58(3)63)57-70-72(66,67)69-55-54-62-60(64)52-50-48-46-44-42-40-38-19-17-15-13-11-9-7-5-2/h6-9,12-15,18-20,22-23,25-26,38,59H,4-5,10-11,16-17,21,24,27-37,39-57H2,1-3H3,(H,62,64)(H,66,67)/b8-6-,9-7-,14-12-,15-13-,20-18-,23-22-,26-25-,38-19-/t59-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:61](=[O:65])[O:68][CH2:56][C@H:59]([CH2:57][O:70][P:72]([OH:66])(=[O:67])[O:69][CH2:55][CH2:54][N:62]=[C:60]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:19]\[CH2:17]/[CH:15]=[CH:13]\[CH2:11]/[CH:9]=[CH:7]\[CH2:5][CH3:2])[OH:64])[O:71][C:58]([CH3:3])=[O:63] |
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