CID 5271991

Ganhuangenin

Structural Information

Molecular Formula
C17H14O8
SMILES
COC1=C(C=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O
InChI
InChI=1S/C17H14O8/c1-23-15-8(19)4-3-7(18)14(15)12-6-10(21)13-9(20)5-11(22)16(24-2)17(13)25-12/h3-6,18-20,22H,1-2H3
InChIKey
CPFJPTACQDZPLS-UHFFFAOYSA-N
Compound name
2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

29
Patents

346.06888 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07616 174.3
[M+Na]+ 369.05810 185.3
[M-H]- 345.06160 179.5
[M+NH4]+ 364.10270 185.3
[M+K]+ 385.03204 183.6
[M+H-H2O]+ 329.06614 166.7
[M+HCOO]- 391.06708 191.7
[M+CH3COO]- 405.08273 207.3
[M+Na-2H]- 367.04355 177.7
[M]+ 346.06833 180.7
[M]- 346.06943 180.7
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