CID 101675298

5,7-dihydroxy-2-[4-hydroxy-3-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]chromen-4-one

Structural Information

Molecular Formula
C20H18O10
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)O)O
InChI
InChI=1S/C20H18O10/c21-9-4-11(23)17-12(24)6-14(29-16(17)5-9)8-1-2-10(22)15(3-8)30-20-19(27)18(26)13(25)7-28-20/h1-6,13,18-23,25-27H,7H2/t13-,18+,19-,20+/m1/s1
InChIKey
ZUMPYZVELBOZDM-RHMWYWNKSA-N
Compound name
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.09 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09728 193.5
[M+Na]+ 441.07922 200.7
[M-H]- 417.08272 199.0
[M+NH4]+ 436.12382 197.9
[M+K]+ 457.05316 200.2
[M+H-H2O]+ 401.08726 184.4
[M+HCOO]- 463.08820 202.9
[M+CH3COO]- 477.10385 218.0
[M+Na-2H]- 439.06467 194.4
[M]+ 418.08945 194.8
[M]- 418.09055 194.8
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.