CID 10389700

5,7-dihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(3,4,5-trihydroxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C21H20O12
SMILES
C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C21H20O12/c22-5-13-17(28)19(30)20(31)21(33-13)15-8(24)4-12-14(18(15)29)7(23)3-11(32-12)6-1-9(25)16(27)10(26)2-6/h1-4,13,17,19-22,24-31H,5H2/t13-,17-,19+,20-,21+/m1/s1
InChIKey
YVQAFWXBYGHQPW-RDZBXBSQSA-N
Compound name
5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.0955 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.10278 206.9
[M+Na]+ 487.08472 213.5
[M-H]- 463.08822 209.2
[M+NH4]+ 482.12932 207.7
[M+K]+ 503.05866 213.7
[M+H-H2O]+ 447.09276 197.8
[M+HCOO]- 509.09370 211.2
[M+CH3COO]- 523.10935 227.0
[M+Na-2H]- 485.07017 230.6
[M]+ 464.09495 207.9
[M]- 464.09605 207.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.