| Properties | Image |
|---|
| MNX_ID | MNXM958845 |
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| reference | slm:000651230 |
| formula | C61H99NO9P |
| global charge | -1 |
| mol weight | 1021.435 |
| InChIKey | UEBQIBOQGWHQLH-PFUBMADUSA-M |
| InChI | InChI=1S/C61H100NO9P/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-39-42-45-48-51-59(63)62-54-55-69-72(66,67)70-57-58(71-61(65)53-50-47-44-41-36-21-18-15-12-9-6-3)56-68-60(64)52-49-46-43-40-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-35,37,40,42-43,45,58H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-39,41,44,46-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,43-40-,45-42-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H100NO9P/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-39-42-45-48-51-59(63)62-54-55-69-72(66,67)70-57-58(71-61(65)53-50-47-44-41-36-21-18-15-12-9-6-3)56-68-60(64)52-49-46-43-40-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,33-35,37,40,42-43,45,58H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-39,41,44,46-57H2,1-3H3,(H,62,63)(H,66,67)/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,43-40-,45-42-/t58-/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:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:31]\[CH2:32]/[CH:34]=[CH:37]\[CH2:39]/[CH:42]=[CH:45]\[CH2:48][CH2:51][C:59](=[N:62][CH2:54][CH2:55][O:69][P:72]([OH:66])(=[O:67])[O:70][CH2:57][C@@H:58]([CH2:56][O:68][C:60]([CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:40]\[CH2:38]/[CH:35]=[CH:33]\[CH2:30]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64])[O:71][C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:36][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65])[OH:63] |
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