CID 23584711

[(2r,3s,4s,5r,6s)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Structural Information

Molecular Formula
C23H23O11
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C23H22O11/c1-10(24)31-9-18-19(28)20(29)21(30)23(34-18)33-17-8-14-15(27)6-13(26)7-16(14)32-22(17)11-2-4-12(25)5-3-11/h2-8,18-21,23,28-30H,9H2,1H3,(H2-,25,26,27)/p+1/t18-,19-,20+,21-,23-/m1/s1
InChIKey
SYFJGOZRUVEOJC-ZFVIQDPVSA-O
Compound name
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.12402 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.13130 211.4
[M+Na]+ 498.11324 215.7
[M-H]- 474.11674 216.5
[M+NH4]+ 493.15784 212.7
[M+K]+ 514.08718 210.8
[M+H-H2O]+ 458.12128 204.1
[M+HCOO]- 520.12222 218.3
[M+CH3COO]- 534.13787 221.5
[M+Na-2H]- 496.09869 212.8
[M]+ 475.12347 213.0
[M]- 475.12457 213.0
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.