CID 131751385

Hispidol 6-glucoside

Structural Information

Molecular Formula
C21H20O9
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O
InChI
InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-12-5-6-13-14(8-12)29-15(17(13)24)7-10-1-3-11(23)4-2-10/h1-8,16,18-23,25-27H,9H2/b15-7-
InChIKey
GVRZCIYFKOQSQL-CHHVJCJISA-N
Compound name
(2Z)-2-[(4-hydroxyphenyl)methylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

416.11072 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.117996 193.2
[M+Na]+ 439.099938 199.2
[M-H]- 415.103444 199.3
[M+NH4]+ 434.144543 200.1
[M+K]+ 455.073878 197.2
[M+H-H2O]+ 399.107980 186.3
[M+HCOO]- 461.108921 203.4
[M+CH3COO]- 475.124571 216.8
[M+Na-2H]- 437.085386 191.5
[M]+ 416.11017142 193.3
[M]- 416.11126858 193.3
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.