CID 470791

4h-1-benzopyran-4-one, 2-(4-(beta-d-glucopyranosyloxy)phenyl)-2,3-dihy dro-5,7-dihydroxy-, (2s)-

Structural Information

Molecular Formula
C21H22O10
SMILES
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-3-1-9(2-4-11)14-7-13(25)17-12(24)5-10(23)6-15(17)30-14/h1-6,14,16,18-24,26-28H,7-8H2
InChIKey
KSDSYIXRWHRPMN-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3313
Patents

434.1213 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12858 199.3
[M+Na]+ 457.11052 209.7
[M+NH4]+ 452.15512 202.4
[M+K]+ 473.08446 208.0
[M-H]- 433.11402 203.3
[M+Na-2H]- 455.09597 199.0
[M]+ 434.12075 201.5
[M]- 434.12185 201.5
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