CID 45934367

Silidianin, inn

Structural Information

Molecular Formula
C25H24O10
SMILES
COC1=C(C=CC(=C1)C2C3CC(C4C2COC4(C3=O)O)C5C(C(=O)C6=C(C=C(C=C6O5)O)O)O)O
InChI
InChI=1S/C25H24O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-6,11-13,18,20,22-23,26-28,30,32H,7-8H2,1H3
InChIKey
RYFSLTQGWPBSRH-UHFFFAOYSA-N
Compound name
3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-4-oxatricyclo[4.3.1.03,7]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.13693 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.14421 202.1
[M+Na]+ 507.12615 206.2
[M-H]- 483.12965 203.7
[M+NH4]+ 502.17075 212.6
[M+K]+ 523.10009 206.1
[M+H-H2O]+ 467.13419 194.8
[M+HCOO]- 529.13513 199.8
[M+CH3COO]- 543.15078 207.4
[M+Na-2H]- 505.11160 205.0
[M]+ 484.13638 206.4
[M]- 484.13748 206.4
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.