CID 131751473

Genistein 4'-rhamnoside

Structural Information

Molecular Formula
C21H20O9
SMILES
CC1C(C(C(C(O1)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)O)O
InChI
InChI=1S/C21H20O9/c1-9-17(24)19(26)20(27)21(29-9)30-12-4-2-10(3-5-12)13-8-28-15-7-11(22)6-14(23)16(15)18(13)25/h2-9,17,19-24,26-27H,1H3
InChIKey
ALDGJOZWDGSBIY-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.11072 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.117996 195.6
[M+Na]+ 439.099938 203.2
[M-H]- 415.103444 202.3
[M+NH4]+ 434.144543 201.0
[M+K]+ 455.073878 202.4
[M+H-H2O]+ 399.107980 186.5
[M+HCOO]- 461.108921 206.1
[M+CH3COO]- 475.124571 219.8
[M+Na-2H]- 437.085386 196.1
[M]+ 416.11017142 197.5
[M]- 416.11126858 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.