CID 15818599

Glyurallin b

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)O)C
InChI
InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-21(28)23(15)29)18-12-31-25-17(8-6-14(3)4)19(26)11-20(27)22(25)24(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3
InChIKey
DPLWUTYEBRKBLI-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

59
Patents

422.17294 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 203.6
[M+Na]+ 445.16216 216.9
[M+NH4]+ 440.20676 207.6
[M+K]+ 461.13610 211.6
[M-H]- 421.16566 206.2
[M+Na-2H]- 443.14761 205.4
[M]+ 422.17239 206.1
[M]- 422.17349 206.1
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