CID 5481962

Artonin e

Structural Information

Molecular Formula
C25H24O7
SMILES
CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC(=C(C=C4O)O)O)C
InChI
InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3
InChIKey
HDHRTQZSBFUBMJ-UHFFFAOYSA-N
Compound name
5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

489
Patents

436.1522 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 204.3
[M+Na]+ 459.14142 219.2
[M+NH4]+ 454.18602 210.6
[M+K]+ 475.11536 212.0
[M-H]- 435.14492 209.4
[M+Na-2H]- 457.12687 207.4
[M]+ 436.15165 208.1
[M]- 436.15275 208.1
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