| Properties | Image |
|---|
| MNX_ID | MNXM955778 |
 |
| reference | slm:000648163 |
| formula | C61H103NO9P |
| global charge | -1 |
| mol weight | 1025.467 |
| InChIKey | XETFHRFVXUOSCT-PZWBGOOTSA-M |
| InChI | InChI=1S/C61H104NO9P/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-61(65)71-58(56-68-60(64)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-31,37,40,58H,4-7,9-10,12-15,22-24,29,32-36,38-39,41-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,40-37-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H104NO9P/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-61(65)71-58(56-68-60(64)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-31,37,40,58H,4-7,9-10,12-15,22-24,29,32-36,38-39,41-57H2,1-3H3,(H,62,63)(H,66,67)/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,40-37-/t58-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:61](=[O:65])[O:71][C@H:58]([CH2:56][O:68][C:60]([CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:37]\[CH2:34]/[CH:31]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:64])[CH2:57][O:70][P:72]([OH:66])(=[O:67])[O:69][CH2:55][CH2:54][N:62]=[C:59]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:63] |
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