CID 14861262

6-beta-d-glucopyranosyldiosmetin

Structural Information

Molecular Formula
C22H22O11
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O
InChI
InChI=1S/C22H22O11/c1-31-12-3-2-8(4-9(12)24)13-5-10(25)16-14(32-13)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3
InChIKey
ADVFPEKLSDNTRV-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

462.1162 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12348 207.0
[M+Na]+ 485.10542 218.7
[M+NH4]+ 480.15002 209.1
[M+K]+ 501.07936 217.4
[M-H]- 461.10892 210.7
[M+Na-2H]- 483.09087 206.6
[M]+ 462.11565 209.4
[M]- 462.11675 209.4
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

patents stripe