CID 261859

Gardenin a

Structural Information

Molecular Formula
C21H22O9
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O
InChI
InChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3
InChIKey
MQBFFYQCZCKSBX-UHFFFAOYSA-N
Compound name
5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

445
Patents

418.12637 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13365 195.3
[M+Na]+ 441.11559 210.5
[M+NH4]+ 436.16019 200.0
[M+K]+ 457.08953 205.6
[M-H]- 417.11909 199.1
[M+Na-2H]- 439.10104 199.3
[M]+ 418.12582 198.6
[M]- 418.12692 198.6
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