FL3FAAGS0063

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	366472-57-3
KEGG	{{{KEGG}}}
KNApSAcK	C00013613
CDX file
MOL file	FL3FAAGS0063.mol

Pinnatifinoside A
Structural Information
Systematic Name	(2R,3S,4S,5R) -4,5-Dihydro-3,4,5'-trihydroxy-5- (hydroxymethyl) -2'- (4-hydroxyphenyl) -spiro [ furan-2 (3H) ,8' (9'H) - [ 4H ] furo [ 2,3-h ] [ 1 ] benzopyran ] -4'-one
Common Name	Pinnatifinoside A (2R,3S,4S,5R) -4,5-Dihydro-3,4,5'-trihydroxy-5- (hydroxymethyl) -2'- (4-hydroxyphenyl) -spiro [ furan-2 (3H) ,8' (9'H) - [ 4H ] furo [ 2,3-h ] [ 1 ] benzopyran ] -4'-one
Symbol
Formula	C21H18O9
Exact Mass	414.095082174
Average Mass	414.36222
SMILES	O(c25)CC(C1O)(c2c(c4c(O)c5)OC(=CC4=O)c(c3)ccc(O)c3)OC(C1O)CO
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Crataegus pinnatifida FL3FAAGS0063 See above. Zhang_PC et al. 2001