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]+ 485.144206 202.1
[M+Na]+ 507.126148 206.2
[M-H]- 483.129654 203.7
[M+NH4]+ 502.170753 212.6
[M+K]+ 523.100088 206.1
[M+H-H2O]+ 467.134190 194.8
[M+HCOO]- 529.135131 199.8
[M+CH3COO]- 543.150781 207.4
[M+Na-2H]- 505.111596 205.0
[M]+ 484.13638142 206.4
[M]- 484.13747858 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.