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]+ 449.144206 203.7
[M+Na]+ 471.126148 209.4
[M-H]- 447.129654 209.7
[M+NH4]+ 466.170753 207.7
[M+K]+ 487.100088 209.7
[M+H-H2O]+ 431.134190 194.6
[M+HCOO]- 493.135131 211.0
[M+CH3COO]- 507.150781 227.7
[M+Na-2H]- 469.111596 201.8
[M]+ 448.13638142 205.1
[M]- 448.13747858 205.1
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.