CID 78012803

Hydrojuglone glucoside

Structural Information

Molecular Formula
C16H18O8
SMILES
C1=CC2=C(C=CC(=C2C(=C1)OC3C(C(C(C(O3)CO)O)O)O)O)O
InChI
InChI=1S/C16H18O8/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/h1-5,11,13-22H,6H2
InChIKey
PUKLOSMRXIAWPE-UHFFFAOYSA-N
Compound name
2-(5,8-dihydroxynaphthalen-1-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.10016 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10744 173.6
[M+Na]+ 361.08938 180.2
[M-H]- 337.09288 174.6
[M+NH4]+ 356.13398 183.1
[M+K]+ 377.06332 177.9
[M+H-H2O]+ 321.09742 166.8
[M+HCOO]- 383.09836 183.9
[M+CH3COO]- 397.11401 200.8
[M+Na-2H]- 359.07483 174.9
[M]+ 338.09961 172.5
[M]- 338.10071 172.5
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.