Met000004: 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone
Metabolite Information
Name
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone
IUPAC Name
5-[(3,4,5-trihydroxyphenyl)methyl]oxolan-2-one
Molecular Formula
C11H12O5
Molecular Weight
224.21
Exact Mass
224.0684735
SMILES
C1CC(=O)OC1CC2=CC(=C(C(=C2)O)O)O
InChIKey
CZVAQLJEUUFQCH-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Phenols
Subclass:
Benzenetriols and derivatives
Crops containing this metabolite
broad_bean
broccoli
cabbage
chestnut
lemon
loquat
okra
peanut
perilla
turnip
broccoli
cabbage
chestnut
lemon
loquat
okra
peanut
perilla
turnip
Metabolite Spectrum Accession Label