(±)-Abscisic acid
(±)-Abscisic acid Structure
Systematic / IUPAC Name: (2E,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid
ID: Reference158
Other Names:
5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid;
(2E,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid;
(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)penta-2,4-dienoic acid;
(2E,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid;
2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2E,4E)-
; more
Formula: C15H20O4
Class: Endogenous Metabolites
Spectral Data
(±)-Abscisic acid 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 Elite; Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap |
| No. of Spectral Trees | 7 |
| No. of Spectra | 6760 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | ESI; APCI; NSI |
| Analyzers | FT |
| Last Modification | 11/11/2014 8:46:50 AM |
Identificators
| InChI | InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+ |
| InChI Key | JLIDBLDQVAYHNE-WEYXYWBQSA-N |
| Canonical SMILES | CC1=CC(=O)CC(C1(/C=C/C(=C/C(=O)O)/C)O)(C)C |
| CAS | 14375452 |
| Splash | |
| Other Names |
5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid; (2E,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid; (2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)penta-2,4-dienoic acid; (2E,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid; 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2E,4E)-; 5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid; Abscisic acid; ABA; Dormin |
In Other Databases
| PubChem | 5375200 |
| Wikipedia | Abscisic acid |
| ChEMBL | CHEMBL1965138 |
| ChemSpider | 4524740 |
| ChEBI | CHEBI:62426 |