FL1CBANC0001

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	164991-52-0
KEGG	{{{KEGG}}}
KNApSAcK	C00008123
CDX file
MOL file	FL1CBANC0001.mol

Calyxin A
Structural Information
Systematic Name	(1E,3R,5S) -1,7-Bis (4-hydroxyphenyl) -3- [ 2,6-dihydroxy-4-methoxy-5- [ (E) -1-oxo-3- (4-hydroxyphenyl) -2-propenyl ] phenyl ] -1-heptene-5-ol
Common Name	Calyxin A (1E,3R,5S) -1,7-Bis (4-hydroxyphenyl) -3- [ 2,6-dihydroxy-4-methoxy-5- [ (E) -1-oxo-3- (4-hydroxyphenyl) -2-propenyl ] phenyl ] -1-heptene-5-ol
Symbol
Formula	C35H34O9
Exact Mass	598.220282686
Average Mass	598.63906
SMILES	c(c2O)c(OC)c(c(c([C@@H](C=Cc(c4)ccc(c4)O)CC(OO)CCc(c3)ccc(c3)O)2)O)C(C=Cc(c1)ccc(c1)O)=O
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 Alpinia blepharocalyx FL1CBANC0001 See above. Kadota_S et al. 1994