CID 162911884

5-hydroxy-6-methoxy-3-phenyl-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C22H22O9
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC=C(C3=O)C4=CC=CC=C4)O)OC)O)O)O
InChI
InChI=1S/C22H22O9/c1-10-16(23)19(26)20(27)22(30-10)31-14-8-13-15(18(25)21(14)28-2)17(24)12(9-29-13)11-6-4-3-5-7-11/h3-10,16,19-20,22-23,25-27H,1-2H3/t10-,16-,19+,20+,22-/m0/s1
InChIKey
DAPATAKSYUBCLS-HSUOWHDTSA-N
Compound name
5-hydroxy-6-methoxy-3-phenyl-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.12637 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.13365 199.6
[M+Na]+ 453.11559 207.2
[M-H]- 429.11909 207.5
[M+NH4]+ 448.16019 205.1
[M+K]+ 469.08953 206.9
[M+H-H2O]+ 413.12363 190.0
[M+HCOO]- 475.12457 211.2
[M+CH3COO]- 489.14022 224.4
[M+Na-2H]- 451.10104 200.0
[M]+ 430.12582 203.4
[M]- 430.12692 203.4
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.