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	Pinnatifinoside A
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