CID 10392009

Exiguaflavanone d

Structural Information

Molecular Formula
C31H38O7
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=C(C=C(C=C3O)OC)O)CC(CC=C(C)C)C(=C)C)O)C
InChI
InChI=1S/C31H38O7/c1-16(2)8-10-19(18(5)6)12-22-29(35)21(11-9-17(3)4)30(36)28-25(34)15-26(38-31(22)28)27-23(32)13-20(37-7)14-24(27)33/h8-9,13-14,19,26,32-33,35-36H,5,10-12,15H2,1-4,6-7H3
InChIKey
GVIHRMQHJHVHCT-UHFFFAOYSA-N
Compound name
2-(2,6-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

522.2618 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.26908 229.3
[M+Na]+ 545.25102 232.8
[M-H]- 521.25452 231.5
[M+NH4]+ 540.29562 232.6
[M+K]+ 561.22496 229.2
[M+H-H2O]+ 505.25906 221.4
[M+HCOO]- 567.26000 235.3
[M+CH3COO]- 581.27565 249.0
[M+Na-2H]- 543.23647 218.8
[M]+ 522.26125 231.8
[M]- 522.26235 231.8
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.