CID 15231526

Heteroartonin a

Structural Information

Molecular Formula
C26H28O7
SMILES
CC(=CCC1=C(C(=CC(=C1OC)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C26H28O7/c1-13(2)6-8-16-23(30)18(12-20(29)26(16)32-5)25-17(9-7-14(3)4)24(31)22-19(28)10-15(27)11-21(22)33-25/h6-7,10-12,27-30H,8-9H2,1-5H3
InChIKey
ONBLHZQNAGITBB-UHFFFAOYSA-N
Compound name
2-[2,5-dihydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

452.1835 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19078 210.0
[M+Na]+ 475.17272 218.0
[M-H]- 451.17622 214.0
[M+NH4]+ 470.21732 216.7
[M+K]+ 491.14666 214.2
[M+H-H2O]+ 435.18076 201.8
[M+HCOO]- 497.18170 222.3
[M+CH3COO]- 511.19735 232.3
[M+Na-2H]- 473.15817 205.6
[M]+ 452.18295 215.5
[M]- 452.18405 215.5
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

No patent data available for this compound.