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

2
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

literature stripe

Patent stripe

patents stripe