CID 91895464

6''-o-acetylisovitexin

Structural Information

Molecular Formula
C23H22O11
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C23H22O11/c1-9(24)32-8-16-19(28)21(30)22(31)23(34-16)18-13(27)7-15-17(20(18)29)12(26)6-14(33-15)10-2-4-11(25)5-3-10/h2-7,16,19,21-23,25,27-31H,8H2,1H3/t16-,19-,21+,22-,23+/m1/s1
InChIKey
FNDIFZKJJZQTQL-QJLVSEQISA-N
Compound name
[(2R,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.1162 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.12348 208.4
[M+Na]+ 497.10542 214.5
[M-H]- 473.10892 213.7
[M+NH4]+ 492.15002 210.4
[M+K]+ 513.07936 215.0
[M+H-H2O]+ 457.11346 198.9
[M+HCOO]- 519.11440 215.9
[M+CH3COO]- 533.13005 230.9
[M+Na-2H]- 495.09087 206.3
[M]+ 474.11565 211.1
[M]- 474.11675 211.1
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.