| Properties | Image |
|---|
| MNX_ID | MNXM9158 |
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| reference | biggM:tmndnccrn |
| formula | C27H43NO4 |
| global charge | 0 |
| mol weight | 445.644 |
| InChIKey | USUPQTJPNBGUSJ-QGYZSDAXSA-N |
| InChI | InChI=1S/C27H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h6-7,9-10,12-13,15-16,18-19,25H,5,8,11,14,17,20-24H2,1-4H3/b7-6?,10-9-,13-12-,16-15-,19-18?/t25-/m1/s1 |
| SMILES | CCC=CC/C=C\C/C=C\C/C=C\CC=CCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C27H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h6-7,9-10,12-13,15-16,18-19,25H,5,8,11,14,17,20-24H2,1-4H3/b7-6?,10-9-,13-12-,16-15-,19-18?/t25-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:6]=[CH:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17][CH:18]=[CH:19][CH2:20][CH2:21][CH2:22][C:27](=[O:31])[O:32][C@H:25]([CH2:23][C:26](=[O:29])[O-:30])[CH2:24][N+:28]([CH3:2])([CH3:3])[CH3:4] |
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