CID 101324765

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

Structural Information

Molecular Formula
C22H22O11
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(O3)C=C(C(=C4OC)O)O)O)O)O)O
InChI
InChI=1S/C22H22O11/c1-8-14(24)17(27)19(29)22(31-8)32-10-5-3-9(4-6-10)20-18(28)16(26)13-12(33-20)7-11(23)15(25)21(13)30-2/h3-8,14,17,19,22-25,27-29H,1-2H3/t8-,14-,17+,19+,22-/m0/s1
InChIKey
COJAFCZHQKNUSI-QZSNITAGSA-N
Compound name
3,6,7-trihydroxy-5-methoxy-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

462.1162 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12348 206.2
[M+Na]+ 485.10542 213.6
[M-H]- 461.10892 212.0
[M+NH4]+ 480.15002 209.1
[M+K]+ 501.07936 214.3
[M+H-H2O]+ 445.11346 196.7
[M+HCOO]- 507.11440 214.7
[M+CH3COO]- 521.13005 229.6
[M+Na-2H]- 483.09087 205.0
[M]+ 462.11565 210.5
[M]- 462.11675 210.5
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

No patent data available for this compound.