CID 53462148

5,7,4',5'-tetrahydroxy-3'-methoxydihydroflavonol

Structural Information

Molecular Formula
C16H14O8
SMILES
COC1=CC(=CC(=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C16H14O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,15-20,22H,1H3
InChIKey
MIEZPHMCERQLMT-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

334.06888 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07616 171.6
[M+Na]+ 357.05810 180.7
[M-H]- 333.06160 174.8
[M+NH4]+ 352.10270 182.2
[M+K]+ 373.03204 178.6
[M+H-H2O]+ 317.06614 164.7
[M+HCOO]- 379.06708 185.0
[M+CH3COO]- 393.08273 203.2
[M+Na-2H]- 355.04355 173.4
[M]+ 334.06833 173.3
[M]- 334.06943 173.3
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.