CID 20979907

Rumexoside

Structural Information

Molecular Formula
C20H22O10
SMILES
CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O
InChI
InChI=1S/C20H22O10/c1-7-3-9-4-10(19(27)28)5-11(14(9)16(24)13(7)8(2)22)29-20-18(26)17(25)15(23)12(6-21)30-20/h3-5,12,15,17-18,20-21,23-26H,6H2,1-2H3,(H,27,28)
InChIKey
GPYNRGVKMWCYIE-UHFFFAOYSA-N
Compound name
6-acetyl-5-hydroxy-7-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.1213 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.12858 194.7
[M+Na]+ 445.11052 203.3
[M+NH4]+ 440.15512 196.5
[M+K]+ 461.08446 203.2
[M-H]- 421.11402 194.2
[M+Na-2H]- 443.09597 192.3
[M]+ 422.12075 195.1
[M]- 422.12185 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe