| Properties | Image |
|---|
| MNX_ID | MNXM30725 |
 |
| reference | lipidmapsM:LMST03010011 |
| formula | C28H43FO3 |
| global charge | 0 |
| mol weight | 446.647 |
| InChIKey | NYQPKLHIAIIMRX-ABEKVIRTSA-N |
| InChI | InChI=1S/C28H43FO3/c1-18(13-15-28(6,29)26(3,4)32)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(30)17-25(31)19(21)2/h9-10,13,15,18,22-25,30-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@](C)(F)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H43FO3/c1-18(13-15-28(6,29)26(3,4)32)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(30)17-25(31)19(21)2/h9-10,13,15,18,22-25,30-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18](/[CH:13]=[CH:15]/[C@:28]([CH3:6])([C:26]([CH3:3])([CH3:4])[OH:32])[F:29])[C@H:23]1[CH2:11][CH2:12][C@H:24]2/[C:20](=[CH:9]/[CH:10]=[C:21]3/[CH2:16][C@@H:22]([OH:30])[CH2:17][C@H:25]([OH:31])[C:19]3=[CH2:2])[CH2:8][CH2:7][CH2:14][C@:27]12[CH3:5] |
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