| Properties | Image |
|---|
| MNX_ID | MNXM1131981 |
 |
| reference | lipidmapsM:LMST01130028 |
| formula | C24H32O5 |
| global charge | 0 |
| mol weight | 400.515 |
| InChIKey | DUDKFSOZKFNNCE-FEHGIAQLSA-N |
| InChI | InChI=1S/C24H32O5/c1-22-8-7-15(25)9-14(22)4-5-16-18(22)10-19(26)23(2)17(11-20-24(16,23)29-20)13-3-6-21(27)28-12-13/h3,6,12,14-20,25-26H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,18+,19-,20-,22+,23+,24-/m1/s1 |
| SMILES | C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=COC(=O)C=C3)C[C@H]3O[C@]132 |
MNX internals
| InChI (mnx) | InChI=1/C24H32O5/c1-22-8-7-15(25)9-14(22)4-5-16-18(22)10-19(26)23(2)17(11-20-24(16,23)29-20)13-3-6-21(27)28-12-13/h3,6,12,14-20,25-26H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,18+,19-,20-,22+,23+,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:22]12[CH2:8][CH2:7][C@H:15]([OH:25])[CH2:9][C@H:14]1[CH2:4][CH2:5][C@@H:16]1[C@@H:18]2[CH2:10][C@@H:19]([OH:26])[C@:23]2([CH3:2])[C@@H:17]([C:13]3=[CH:12][O:28][C:21](=[O:27])[CH:6]=[CH:3]3)[CH2:11][C@@H:20]3[C@:24]12[O:29]3 |
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