(+/-)8(9)-DiHET
9841
Reference
(+/-)8(9)-DiHET Structure
Systematic / IUPAC Name: (5Z,8S,9R,11Z,14Z)-8,9-Dihydroxy-5,11,14-icosatrienoic acid
ID: Reference9841
Other Names:
(+/-)8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid;
(±)8,9-DiHETrE
Formula: C20H34O4
Class: Endogenous Metabolites
Spectral Data
(+/-)8(9)-DiHET mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion with FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 144 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/23/2020 8:45:31 AM |
Identificators
| InChI | InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-/t18-,19+/m1/s1 |
| InChI Key | DCJBINATHQHPKO-ZZMPYBMWSA-N |
| Canonical SMILES | CCCCCC=CCC=CCC(C(CC=CCCCC(=O)O)O)O |
| CAS | 192461964 |
| Splash | |
| Other Names |
(+/-)8,9-dihydroxy-5Z,11Z,14Z-eicosatrienoic acid; (±)8,9-DiHETrE |