CID 73715454

A-rhamnorobin

Structural Information

Molecular Formula
C21H20O10
SMILES
CC(C1C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C21H20O10/c1-8(22)19-17(27)18(28)21(31-19)29-11-6-12(24)14-13(7-11)30-20(16(26)15(14)25)9-2-4-10(23)5-3-9/h2-8,17-19,21-24,26-28H,1H3
InChIKey
PMWOCSJXZDDAPR-UHFFFAOYSA-N
Compound name
7-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

432.10565 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11293 197.9
[M+Na]+ 455.09487 208.7
[M+NH4]+ 450.13947 200.8
[M+K]+ 471.06881 209.6
[M-H]- 431.09837 201.5
[M+Na-2H]- 453.08032 198.0
[M]+ 432.10510 200.1
[M]- 432.10620 200.1
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

No patent data available for this compound.