CID 53462148

Hovenitin i

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

36
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

literature stripe

Patent stripe

patents stripe