CID 10342292

Kuwanon e

Structural Information

Molecular Formula
C25H28O6
SMILES
CC(=CCC/C(=C/CC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)/C)C
InChI
InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+
InChIKey
GJFHZVPRFLHEBR-VIZOYTHASA-N
Compound name
2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

424.1886 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19588 204.2
[M+Na]+ 447.17782 215.2
[M+NH4]+ 442.22242 208.0
[M+K]+ 463.15176 210.2
[M-H]- 423.18132 206.2
[M+Na-2H]- 445.16327 204.5
[M]+ 424.18805 206.0
[M]- 424.18915 206.0
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