CID 5472471

3-genistein-8-c-glucoside

Structural Information

Molecular Formula

C₂₁H₂₀O₁₀

SMILES

C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)O

InChI

InChI=1S/C21H20O10/c22-6-13-17(27)18(28)19(29)21(31-13)15-12(25)5-11(24)14-16(26)10(7-30-20(14)15)8-1-3-9(23)4-2-8/h1-5,7,13,17-19,21-25,27-29H,6H2

InChIKey

HIWJJOYYZFELEZ-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 432.10565 Da
Monoisotopic Mass: 0.2
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]+	433.112926	199.6
[M+Na]+	455.094868	206.7
[M-H]-	431.098374	204.0
[M+NH4]+	450.139473	203.0
[M+K]+	471.068808	205.6
[M+H-H2O]+	415.102910	190.7
[M+HCOO]-	477.103851	207.0
[M+CH3COO]-	491.119501	220.9
[M+Na-2H]-	453.080316	198.8
[M]+	432.10510142	200.1
[M]-	432.10619858	200.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.