CID 14311197

Prunetinoside

Structural Information

Molecular Formula
C22H22O10
SMILES
COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C(=CO2)C4=CC=C(C=C4)O
InChI
InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3
InChIKey
AJAGLPDYKVWJQE-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

446.1213 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.12858 202.8
[M+Na]+ 469.11052 215.5
[M+NH4]+ 464.15512 206.2
[M+K]+ 485.08446 212.6
[M-H]- 445.11402 207.8
[M+Na-2H]- 467.09597 204.5
[M]+ 446.12075 205.8
[M]- 446.12185 205.8
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