CID 74977513

Apigenin 7-arabinoside

Structural Information

Molecular Formula
C20H18O9
SMILES
C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C20H18O9/c21-10-3-1-9(2-4-10)15-7-13(23)17-12(22)5-11(6-16(17)29-15)28-20-19(26)18(25)14(24)8-27-20/h1-7,14,18-22,24-26H,8H2
InChIKey
ASMYXLDPYBVDFS-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

402.0951 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10238 190.1
[M+Na]+ 425.08432 197.4
[M-H]- 401.08782 196.7
[M+NH4]+ 420.12892 195.8
[M+K]+ 441.05826 196.5
[M+H-H2O]+ 385.09236 181.0
[M+HCOO]- 447.09330 201.0
[M+CH3COO]- 461.10895 215.4
[M+Na-2H]- 423.06977 191.9
[M]+ 402.09455 191.2
[M]- 402.09565 191.2
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.