Met002803: (+)-Abscisic Acid
Metabolite Information
Name
(+)-Abscisic Acid
IUPAC Name
(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Molecular Formula
C15H20O4
Molecular Weight
264.32
Exact Mass
264.1361591
SMILES
CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
InChIKey
JLIDBLDQVAYHNE-YKALOCIXSA-N
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
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Prenol lipids
Subclass:
Sesquiterpenoids
Crops containing this metabolite
avocado
banana
blueberry
broad_bean
cauliflower
cowpea
eggplant
mango
okra
peach
watermelon
banana
blueberry
broad_bean
cauliflower
cowpea
eggplant
mango
okra
peach
watermelon
Metabolite Spectrum Accession Label