CID 14213549

Okanin 3'-glucoside

Structural Information

Molecular Formula
C21H22O11
SMILES
C1=CC(=C(C=C1/C=C/C(=O)C2=C(C(=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
InChI
InChI=1S/C21H22O11/c22-8-15-17(28)18(29)19(30)21(31-15)32-20-13(25)6-3-10(16(20)27)11(23)4-1-9-2-5-12(24)14(26)7-9/h1-7,15,17-19,21-22,24-30H,8H2/b4-1+
InChIKey
GUVPHHLUFIQDHV-DAFODLJHSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.1162 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.12348 201.0
[M+Na]+ 473.10542 204.9
[M-H]- 449.10892 201.5
[M+NH4]+ 468.15002 202.8
[M+K]+ 489.07936 203.3
[M+H-H2O]+ 433.11346 192.3
[M+HCOO]- 495.11440 207.7
[M+CH3COO]- 509.13005 221.0
[M+Na-2H]- 471.09087 196.1
[M]+ 450.11565 199.6
[M]- 450.11675 199.6
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.