CID 102519401

3,5,7-trihydroxy-2-[4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one

Structural Information

Molecular Formula
C21H20O10
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)O)O
InChI
InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-4-2-9(3-5-11)20-18(27)16(25)14-12(23)6-10(22)7-13(14)31-20/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1
InChIKey
KTZDZZQLJUYTES-GKLNBGJFSA-N
Compound name
3,5,7-trihydroxy-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.10565 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11293 199.1
[M+Na]+ 455.09487 206.6
[M-H]- 431.09837 204.8
[M+NH4]+ 450.13947 203.1
[M+K]+ 471.06881 206.2
[M+H-H2O]+ 415.10291 189.9
[M+HCOO]- 477.10385 208.0
[M+CH3COO]- 491.11950 222.4
[M+Na-2H]- 453.08032 198.7
[M]+ 432.10510 201.2
[M]- 432.10620 201.2
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.