CID 5281692

Robinetin

Structural Information

Molecular Formula
C15H10O7
SMILES
C1=CC2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
InChIKey
SOEDEYVDCDYMMH-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

1500
Patents

302.04266 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04994 164.4
[M+Na]+ 325.03188 179.0
[M+NH4]+ 320.07648 170.0
[M+K]+ 341.00582 175.2
[M-H]- 301.03538 167.3
[M+Na-2H]- 323.01733 168.8
[M]+ 302.04211 167.2
[M]- 302.04321 167.2
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