Met000563: Furaneol 4-(6-malonylglucoside)
Metabolite Information
Name
Furaneol 4-(6-malonylglucoside)
IUPAC Name
3-[[6-(2,5-dimethyl-4-oxofuran-3-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Molecular Formula
C15H20O11
Molecular Weight
376.31
Exact Mass
376.1005615
SMILES
CC1C(=O)C(=C(O1)C)OC2C(C(C(C(O2)COC(=O)CC(=O)O)O)O)O
InChIKey
QJYOBEMAMLWZTF-UHFFFAOYSA-N
InChI
InChI=1S/C15H20O11/c1-5-10(19)14(6(2)24-5)26-15-13(22)12(21)11(20)7(25-15)4-23-9(18)3-8(16)17/h5,7,11-13,15,20-22H,3-4H2,1-2H3,(H,16,17)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbohydrates and carbohydrate conjugates
Crops containing this metabolite
bittermelon
citrus
pineapple
citrus
pineapple
Metabolite Spectrum Accession Label