CID 10023017

Shoyuflavone a

Structural Information

Molecular Formula
C19H14O9
SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(C(C(=O)O)O)C(=O)O)O
InChI
InChI=1S/C19H14O9/c20-10-3-1-9(2-4-10)13-8-27-14-7-11(5-6-12(14)15(13)21)28-17(19(25)26)16(22)18(23)24/h1-8,16-17,20,22H,(H,23,24)(H,25,26)
InChIKey
BZUOOSAINABLAK-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

386.06378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.07106 182.4
[M+Na]+ 409.05300 193.1
[M+NH4]+ 404.09760 185.3
[M+K]+ 425.02694 192.0
[M-H]- 385.05650 183.1
[M+Na-2H]- 407.03845 184.9
[M]+ 386.06323 183.6
[M]- 386.06433 183.6
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