(S)-(+)-Abscisic acid

enlarge

Systematic / IUPAC Name: (2E,4E)-5-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

ID: Reference13822

Other Names: (S)-2-trans-Abscisic acid;
AA-4117

Formula: C15H20O4

Class: Endogenous Metabolites

Spectral Data

(S)-(+)-Abscisic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 657
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/16/2026 7:21:40 PM
View Mass Spec Data > >

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+/t15-/m1/s1
InChI Key JLIDBLDQVAYHNE-IBPUIESWSA-N
Canonical SMILES CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C(=O)O
CAS
Splash
Other Names (S)-2-trans-Abscisic acid;
AA-4117

In Other Databases

ChEBI CHEBI:18743
ChemSpider 4642916
PubChem 5702609
HMDb HMDB0035140