CID 12308984

Eriodictin

Structural Information

Molecular Formula
C21H22O10
SMILES
CC1C(C(C(C(O1)OC2=CC(=C3C(=O)CC(OC3=C2)C4=CC(=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C21H22O10/c1-8-18(26)19(27)20(28)21(29-8)30-10-5-13(24)17-14(25)7-15(31-16(17)6-10)9-2-3-11(22)12(23)4-9/h2-6,8,15,18-24,26-28H,7H2,1H3
InChIKey
JMVXRLMOIOTWSB-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

292
Patents

434.1213 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.128576 200.0
[M+Na]+ 457.110518 205.7
[M-H]- 433.114024 204.8
[M+NH4]+ 452.155123 203.8
[M+K]+ 473.084458 205.4
[M+H-H2O]+ 417.118560 191.3
[M+HCOO]- 479.119501 206.1
[M+CH3COO]- 493.135151 223.2
[M+Na-2H]- 455.095966 198.1
[M]+ 434.12075142 199.4
[M]- 434.12184858 199.4
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.