| Properties | Image |
|---|
| MNX_ID | MNXM8956 |
 |
| reference | biggM:odecrn |
| formula | C25H47NO4 |
| global charge | 0 |
| mol weight | 425.654 |
| InChIKey | IPOLTUVFXFHAHI-QHCPKHFHSA-N |
| InChI | InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/t23-/m0/s1 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12?/t23-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:25](=[O:29])[O:30][C@@H:23]([CH2:21][C:24](=[O:27])[O-:28])[CH2:22][N+:26]([CH3:2])([CH3:3])[CH3:4] |
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