CID 76594575

Myricetin 7-rhamnoside

Structural Information

Molecular Formula

C₂₁H₂₀O₁₂

SMILES

CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O

InChI

InChI=1S/C21H20O12/c1-6-14(25)17(28)19(30)21(31-6)32-8-4-9(22)13-12(5-8)33-20(18(29)16(13)27)7-2-10(23)15(26)11(24)3-7/h2-6,14,17,19,21-26,28-30H,1H3

InChIKey

LPEPTRFUOKMJCH-UHFFFAOYSA-N

Compound name

3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 464.0955 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	465.102776	206.1
[M+Na]+	487.084718	213.2
[M-H]-	463.088224	209.7
[M+NH4]+	482.129323	207.6
[M+K]+	503.058658	214.0
[M+H-H2O]+	447.092760	196.9
[M+HCOO]-	509.093701	211.9
[M+CH3COO]-	523.109351	228.3
[M+Na-2H]-	485.070166	204.1
[M]+	464.09495142	208.7
[M]-	464.09604858	208.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe