CID 12444947

Afrormosin 7-o-glucoside

Structural Information

Molecular Formula
C23H24O10
SMILES
COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C23H24O10/c1-29-12-5-3-11(4-6-12)14-10-31-15-8-17(16(30-2)7-13(15)19(14)25)32-23-22(28)21(27)20(26)18(9-24)33-23/h3-8,10,18,20-24,26-28H,9H2,1-2H3
InChIKey
YLYJXNTZVUEFJZ-UHFFFAOYSA-N
Compound name
6-methoxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

120
Patents

460.13693 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.144206 205.9
[M+Na]+ 483.126148 212.5
[M-H]- 459.129654 213.4
[M+NH4]+ 478.170753 209.8
[M+K]+ 499.100088 213.0
[M+H-H2O]+ 443.134190 195.7
[M+HCOO]- 505.135131 217.2
[M+CH3COO]- 519.150781 229.8
[M+Na-2H]- 481.111596 206.1
[M]+ 460.13638142 211.4
[M]- 460.13747858 211.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe