CID 131752285

Pratensein 3'-glucoside

Structural Information

Molecular Formula
C22H22O11
SMILES
COC1=C(C=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C22H22O11/c1-30-13-3-2-9(11-8-31-15-6-10(24)5-12(25)17(15)18(11)26)4-14(13)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3
InChIKey
UCMPMVZIJFSAEQ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-[4-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1162 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.123476 205.0
[M+Na]+ 485.105418 211.6
[M-H]- 461.108924 210.4
[M+NH4]+ 480.150023 207.6
[M+K]+ 501.079358 212.1
[M+H-H2O]+ 445.113460 195.3
[M+HCOO]- 507.114401 213.6
[M+CH3COO]- 521.130051 227.9
[M+Na-2H]- 483.090866 204.5
[M]+ 462.11565142 208.8
[M]- 462.11674858 208.8
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.