CID 44257865

Honyucitrin

Structural Information

Molecular Formula
C25H26O5
SMILES
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C
InChI
InChI=1S/C25H26O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-13,26-27,29H,7-8H2,1-4H3
InChIKey
DOFKPAVSYGZVQD-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

406.178 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18528 200.0
[M+Na]+ 429.16722 213.9
[M+NH4]+ 424.21182 204.9
[M+K]+ 445.14116 207.6
[M-H]- 405.17072 203.5
[M+Na-2H]- 427.15267 203.0
[M]+ 406.17745 202.9
[M]- 406.17855 202.9
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