CID 6476405

(2z)-6-hydroxy-2-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzofuran-3-one

Structural Information

Molecular Formula
C23H24O12
SMILES
COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C23H24O12/c1-31-13-3-9(4-14(32-2)18(13)26)5-15-19(27)17-11(33-15)6-10(25)7-12(17)34-23-22(30)21(29)20(28)16(8-24)35-23/h3-7,16,20-26,28-30H,8H2,1-2H3/b15-5-/t16-,20-,21+,22-,23-/m1/s1
InChIKey
GFBGIXGCHXJJRQ-AHUFRKEMSA-N
Compound name
(2Z)-6-hydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

492.12677 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.13405 209.4
[M+Na]+ 515.11599 214.9
[M-H]- 491.11949 214.7
[M+NH4]+ 510.16059 212.7
[M+K]+ 531.08993 215.4
[M+H-H2O]+ 475.12403 202.2
[M+HCOO]- 537.12497 217.3
[M+CH3COO]- 551.14062 233.6
[M+Na-2H]- 513.10144 205.6
[M]+ 492.12622 214.1
[M]- 492.12732 214.1
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.