CID 131751508

Isogenistein 7-glucoside

Structural Information

Molecular Formula

C₂₁H₂₀O₁₀

SMILES

C1=CC=C(C(=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O

InChI

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

InChIKey

VEEIDCZENCXYKD-UHFFFAOYSA-N

Compound name

5-hydroxy-3-(2-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 432.10565 Da
Monoisotopic Mass: 0.9
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	197.8
[M+Na]+	455.094868	204.5
[M-H]-	431.098374	203.2
[M+NH4]+	450.139473	201.6
[M+K]+	471.068808	204.0
[M+H-H2O]+	415.102910	188.5
[M+HCOO]-	477.103851	206.9
[M+CH3COO]-	491.119501	220.8
[M+Na-2H]-	453.080316	198.3
[M]+	432.10510142	199.5
[M]-	432.10619858	199.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.