CID 161557

Dihydromyricetin

Structural Information

Molecular Formula
C15H12O8
SMILES
C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
InChIKey
KJXSIXMJHKAJOD-LSDHHAIUSA-N
Compound name
(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

107
References

3974
Patents

320.05322 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06050 167.8
[M+Na]+ 343.04244 176.9
[M-H]- 319.04594 169.9
[M+NH4]+ 338.08704 178.3
[M+K]+ 359.01638 174.3
[M+H-H2O]+ 303.05048 161.4
[M+HCOO]- 365.05142 180.0
[M+CH3COO]- 379.06707 198.4
[M+Na-2H]- 341.02789 169.7
[M]+ 320.05267 167.5
[M]- 320.05377 167.5
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

patents stripe