CID 13846560

Xanthotoxol arabinoside

Structural Information

Molecular Formula
C16H14O8
SMILES
C1C(C(C(C(O1)OC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)O)O)O
InChI
InChI=1S/C16H14O8/c17-9-6-22-16(12(20)11(9)19)24-15-13-8(3-4-21-13)5-7-1-2-10(18)23-14(7)15/h1-5,9,11-12,16-17,19-20H,6H2
InChIKey
HBYXUKYDTXEALZ-UHFFFAOYSA-N
Compound name
9-(3,4,5-trihydroxyoxan-2-yl)oxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.06888 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07616 169.9
[M+Na]+ 357.05810 183.2
[M+NH4]+ 352.10270 176.0
[M+K]+ 373.03204 181.9
[M-H]- 333.06160 175.7
[M+Na-2H]- 355.04355 171.7
[M]+ 334.06833 173.3
[M]- 334.06943 173.3
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.