CID 5319731

Myricetin 5-methyl ether

Structural Information

Molecular Formula
C16H12O8
SMILES
COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)O)O)O)O
InChI
InChI=1S/C16H12O8/c1-23-10-4-7(17)5-11-12(10)14(21)15(22)16(24-11)6-2-8(18)13(20)9(19)3-6/h2-5,17-20,22H,1H3
InChIKey
DDVGNSDGGWHPQZ-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-5-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

332.05322 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06050 170.4
[M+Na]+ 355.04244 181.3
[M-H]- 331.04594 174.4
[M+NH4]+ 350.08704 181.2
[M+K]+ 371.01638 179.0
[M+H-H2O]+ 315.05048 163.2
[M+HCOO]- 377.05142 186.5
[M+CH3COO]- 391.06707 202.5
[M+Na-2H]- 353.02789 173.8
[M]+ 332.05267 174.7
[M]- 332.05377 174.7
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