FL3FACCS0036

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	57186-26-2
KEGG	{{{KEGG}}}
KNApSAcK	C00006299
CDX file
MOL file	FL3FACCS0036.mol

Isoorientin 2"-O-(E)-caffeate
Structural Information
Systematic Name
Common Name	Isoorientin 2"-O-(E)-caffeate 2"-trans-Caffeoylisoorientin
Symbol
Formula	C30H26O14
Exact Mass	610.13225554
Average Mass	610.51904
SMILES	O(C(=O)C=Cc(c5)ccc(O)c5O)[C@H]([C@H](c(c4O)c(c(c(c4)3)C(=O)C=C(O3)c(c2)cc(O)c(O)c2)O)1)[C@H]([C@H](C(CO)O1)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 Gentiana burseri FL3FACCS0036 See above. Jacot-Guillarmod_A et al. 1975