| Properties | Image |
|---|
| MNX_ID | MNXM964554 |
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| reference | slm:000656939 |
| formula | C63H113NO9P |
| global charge | -1 |
| mol weight | 1059.569 |
| InChIKey | SHQWANXGFYEIIR-IXGMDNAUSA-M |
| InChI | InChI=1S/C63H114NO9P/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-33-34-35-37-40-42-45-48-51-54-62(66)70-58-60(73-63(67)55-52-49-46-43-38-21-18-15-12-9-6-3)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-39-36-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30-31,60H,4-14,17,20-23,26,29,32-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b18-15-,19-16-,25-24-,28-27-,31-30-/t60-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H114NO9P/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-33-34-35-37-40-42-45-48-51-54-62(66)70-58-60(73-63(67)55-52-49-46-43-38-21-18-15-12-9-6-3)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-39-36-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,30-31,60H,4-14,17,20-23,26,29,32-59H2,1-3H3,(H,64,65)(H,68,69)/b18-15-,19-16-,25-24-,28-27-,31-30-/t60-/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:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:40][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:62](=[O:66])[O:70][CH2:58][C@H:60]([CH2:59][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:57][CH2:56][N:64]=[C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:39][CH2:36][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:65])[O:73][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:38][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:67] |
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