CID 131751456

Juglone glucoside

Structural Information

Molecular Formula
C16H16O8
SMILES
C1=CC2=C(C(=O)C=CC2=O)C(=C1)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C16H16O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-3-1-2-7-8(18)4-5-9(19)12(7)10/h1-5,11,13-17,20-22H,6H2
InChIKey
AAYYJBZZHJNMEO-UHFFFAOYSA-N
Compound name
5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0845 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09178 172.8
[M+Na]+ 359.07372 183.5
[M+NH4]+ 354.11832 177.4
[M+K]+ 375.04766 180.7
[M-H]- 335.07722 174.5
[M+Na-2H]- 357.05917 173.7
[M]+ 336.08395 174.3
[M]- 336.08505 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.