CID 131752855

Aromadendrin 4'-methyl ether 7-rhamnoside

Structural Information

Molecular Formula
C22H24O10
SMILES
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(C(C3=O)O)C4=CC=C(C=C4)OC)O)O)O)O
InChI
InChI=1S/C22H24O10/c1-9-16(24)18(26)20(28)22(30-9)31-12-7-13(23)15-14(8-12)32-21(19(27)17(15)25)10-3-5-11(29-2)6-4-10/h3-9,16,18-24,26-28H,1-2H3
InChIKey
KDOAIGQCYMINEB-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(4-methoxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

448.13693 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14421 203.5
[M+Na]+ 471.12615 214.6
[M+NH4]+ 466.17075 206.8
[M+K]+ 487.10009 212.5
[M-H]- 447.12965 208.0
[M+Na-2H]- 469.11160 203.4
[M]+ 448.13638 206.0
[M]- 448.13748 206.0
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.