CID 74819423

5-hydroxy-7-methoxy-2-[4-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C23H26O11
SMILES
COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C23H26O11/c1-30-11-6-12(25)19-13(26)8-15(32-17(19)7-11)10-3-4-14(31-2)16(5-10)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3
InChIKey
VHGJMSVFUPCQGC-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-2-[4-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

478.14752 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.15480 209.6
[M+Na]+ 501.13674 214.3
[M-H]- 477.14024 215.2
[M+NH4]+ 496.18134 212.0
[M+K]+ 517.11068 215.4
[M+H-H2O]+ 461.14478 199.9
[M+HCOO]- 523.14572 216.6
[M+CH3COO]- 537.16137 233.1
[M+Na-2H]- 499.12219 207.6
[M]+ 478.14697 212.6
[M]- 478.14807 212.6
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.