| Properties | Image |
|---|
| MNX_ID | MNXM30417 |
 |
| reference | lipidmapsM:LMST03020212 |
| formula | C27H43FO3 |
| global charge | 0 |
| mol weight | 434.636 |
| InChIKey | FYKDFTBGRZTDCR-FZTNSQDISA-N |
| InChI | InChI=1S/C27H43FO3/c1-18(7-5-13-26(2,3)31)23-11-12-24-19(8-6-14-27(23,24)4)9-10-20-15-21(29)16-25(30)22(20)17-28/h9-10,17-18,21,23-25,29-31H,5-8,11-16H2,1-4H3/b19-9+,20-10-,22-17-/t18-,21-,23-,24+,25+,27-/m1/s1 |
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)/C3=C\F)CCC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H43FO3/c1-18(7-5-13-26(2,3)31)23-11-12-24-19(8-6-14-27(23,24)4)9-10-20-15-21(29)16-25(30)22(20)17-28/h9-10,17-18,21,23-25,29-31H,5-8,11-16H2,1-4H3/b19-9+,20-10-,22-17-/t18-,21-,23-,24+,25+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]([CH2:7][CH2:5][CH2:13][C:26]([CH3:2])([CH3:3])[OH:31])[C@H:23]1[CH2:11][CH2:12][C@H:24]2/[C:19](=[CH:9]/[CH:10]=[C:20]3/[CH2:15][C@@H:21]([OH:29])[CH2:16][C@H:25]([OH:30])/[C:22]3=[CH:17]\[F:28])[CH2:8][CH2:6][CH2:14][C@:27]12[CH3:4] |
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