(+/-)11(12)-DiHET
9805
Reference
(+/-)11(12)-DiHET Structure
Systematic / IUPAC Name: (5Z,8Z,11S,12R,14Z)-11,12-Dihydroxy-5,8,14-icosatrienoic acid
ID: Reference9805
Other Names:
(+/-)11,12-dihydroxy-5Z,8Z,14Z-eicosatrienoic acid;
(+/-)11,12-DiHETrE
Formula: C20H34O4
Class: Endogenous Metabolites
Spectral Data
(+/-)11(12)-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 | 2 |
| No. of Spectra | 774 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/2/2020 4:29:37 PM |
Identificators
| InChI | InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10-/t18-,19+/m1/s1 |
| InChI Key | LRPPQRCHCPFBPE-LZXKBWHHSA-N |
| Canonical SMILES | CCCCCC=CCC(C(CC=CCC=CCCCC(=O)O)O)O |
| CAS | |
| Splash | |
| Other Names |
(+/-)11,12-dihydroxy-5Z,8Z,14Z-eicosatrienoic acid; (+/-)11,12-DiHETrE |