Met001895: 4'-Hydroxyflurbiprofen
Metabolite Information
Name
4'-Hydroxyflurbiprofen
IUPAC Name
2-[3-fluoro-4-(4-hydroxyphenyl)phenyl]propanoic acid
Molecular Formula
C15H13FO3
Molecular Weight
260.26
Exact Mass
260.0848724
SMILES
CC(C1=CC(=C(C=C1)C2=CC=C(C=C2)O)F)C(=O)O
InChIKey
GTSMMBJBNJDFRA-UHFFFAOYSA-N
InChI
InChI=1S/C15H13FO3/c1-9(15(18)19)11-4-7-13(14(16)8-11)10-2-5-12(17)6-3-10/h2-9,17H,1H3,(H,18,19)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Benzene and substituted derivatives
Subclass:
Biphenyls and derivatives
Crops containing this metabolite
asparagus
banana
bittermelon
broad_bean
cabbage
carrot
cauliflower
chestnut
citrus
cucumber
eggplant
lettuce
muskmelon
okra
onion
potato
spinach
tomato
yam
banana
bittermelon
broad_bean
cabbage
carrot
cauliflower
chestnut
citrus
cucumber
eggplant
lettuce
muskmelon
okra
onion
potato
spinach
tomato
yam
Metabolite Spectrum Accession Label