CID 129320322

6-c-glucosyl-2-hydroxynaringenin

Structural Information

Molecular Formula
C21H22O11
SMILES
C1C(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC1(C4=CC=C(C=C4)O)O
InChI
InChI=1S/C21H22O11/c22-7-13-16(26)18(28)19(29)20(31-13)15-10(24)5-12-14(17(15)27)11(25)6-21(30,32-12)8-1-3-9(23)4-2-8/h1-5,13,16,18-20,22-24,26-30H,6-7H2/t13-,16-,18+,19-,20+,21?/m1/s1
InChIKey
XANYTXLTBWWGAJ-QMPIUYLCSA-N
Compound name
2,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

450.1162 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.12348 203.5
[M+Na]+ 473.10542 209.1
[M-H]- 449.10892 205.9
[M+NH4]+ 468.15002 207.3
[M+K]+ 489.07936 208.9
[M+H-H2O]+ 433.11346 195.7
[M+HCOO]- 495.11440 206.6
[M+CH3COO]- 509.13005 222.5
[M+Na-2H]- 471.09087 202.7
[M]+ 450.11565 201.9
[M]- 450.11675 201.9
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.