CID 74978151

Kaempferide 3-rhamnoside

Structural Information

Molecular Formula
C22H22O10
SMILES
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)OC)O)O)O
InChI
InChI=1S/C22H22O10/c1-9-16(25)18(27)19(28)22(30-9)32-21-17(26)15-13(24)7-11(23)8-14(15)31-20(21)10-3-5-12(29-2)6-4-10/h3-9,16,18-19,22-25,27-28H,1-2H3
InChIKey
NUFNGCDVYZKSKE-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-methoxyphenyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

446.1213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.128576 202.9
[M+Na]+ 469.110518 210.4
[M-H]- 445.114024 209.7
[M+NH4]+ 464.155123 207.1
[M+K]+ 485.084458 210.5
[M+H-H2O]+ 429.118560 193.3
[M+HCOO]- 491.119501 213.0
[M+CH3COO]- 505.135151 226.9
[M+Na-2H]- 467.095966 202.5
[M]+ 446.12075142 206.9
[M]- 446.12184858 206.9
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

No patent data available for this compound.