CID 42608048

Exiguaflavanone i

Structural Information

Molecular Formula
C30H34O7
SMILES
CC(=CCC(CC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC(CC2=O)C4=C(C=C(C=C4O)O)O)O)C(=C)C)C
InChI
InChI=1S/C30H34O7/c1-15(2)7-8-17(16(3)4)11-20-27(35)26-23(34)14-24(25-21(32)12-18(31)13-22(25)33)36-29(26)19-9-10-30(5,6)37-28(19)20/h7,9-10,12-13,17,24,31-33,35H,3,8,11,14H2,1-2,4-6H3
InChIKey
MFNPNDPIJKMUMP-UHFFFAOYSA-N
Compound name
5-hydroxy-8,8-dimethyl-6-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2-(2,4,6-trihydroxyphenyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.23044 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.23772 225.9
[M+Na]+ 529.21966 231.3
[M-H]- 505.22316 229.9
[M+NH4]+ 524.26426 231.4
[M+K]+ 545.19360 229.0
[M+H-H2O]+ 489.22770 217.9
[M+HCOO]- 551.22864 230.0
[M+CH3COO]- 565.24429 245.2
[M+Na-2H]- 527.20511 220.9
[M]+ 506.22989 227.9
[M]- 506.23099 227.9
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.