CID 42608031

Exiguaflavanone j

Structural Information

Molecular Formula
C30H36O7
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3O)O)O)CC(CC=C(C)C)C(=C)C)O)C
InChI
InChI=1S/C30H36O7/c1-15(2)7-9-18(17(5)6)11-21-28(35)20(10-8-16(3)4)29(36)27-24(34)14-25(37-30(21)27)26-22(32)12-19(31)13-23(26)33/h7-8,12-13,18,25,31-33,35-36H,5,9-11,14H2,1-4,6H3
InChIKey
FKVFNTSBPLZWEG-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.2461 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.25338 225.5
[M+Na]+ 531.23532 229.0
[M-H]- 507.23882 226.6
[M+NH4]+ 526.27992 228.7
[M+K]+ 547.20926 224.9
[M+H-H2O]+ 491.24336 218.0
[M+HCOO]- 553.24430 230.3
[M+CH3COO]- 567.25995 244.4
[M+Na-2H]- 529.22077 215.1
[M]+ 508.24555 226.0
[M]- 508.24665 226.0
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.