CID 5379096

Jaceosidin

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O
InChI
InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3
InChIKey
GLAAQZFBFGEBPS-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

73
References

329
Patents

330.07394 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08122 172.4
[M+Na]+ 353.06316 187.7
[M+NH4]+ 348.10776 178.3
[M+K]+ 369.03710 182.8
[M-H]- 329.06666 176.2
[M+Na-2H]- 351.04861 177.5
[M]+ 330.07339 175.6
[M]- 330.07449 175.6
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