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 195.7
[M+Na]+ 455.09487 202.7
[M-H]- 431.09837 201.7
[M+NH4]+ 450.13947 201.4
[M+K]+ 471.06881 202.4
[M+H-H2O]+ 415.10291 188.7
[M+HCOO]- 477.10385 206.0
[M+CH3COO]- 491.11950 220.8
[M+Na-2H]- 453.08032 193.7
[M]+ 432.10510 198.9
[M]- 432.10620 198.9
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.