CID 42607994

5,7,3',4'-tetrahydroxy-6,5'-di-c-prenylflavanone

Structural Information

Molecular Formula
C25H28O6
SMILES
CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)O)C
InChI
InChI=1S/C25H28O6/c1-13(2)5-7-15-9-16(10-20(28)24(15)29)21-12-19(27)23-22(31-21)11-18(26)17(25(23)30)8-6-14(3)4/h5-6,9-11,21,26,28-30H,7-8,12H2,1-4H3
InChIKey
LCRYGWPAHFISLY-UHFFFAOYSA-N
Compound name
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1886 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19588 203.9
[M+Na]+ 447.17782 210.0
[M-H]- 423.18132 207.0
[M+NH4]+ 442.22242 211.5
[M+K]+ 463.15176 205.5
[M+H-H2O]+ 407.18586 196.4
[M+HCOO]- 469.18680 213.7
[M+CH3COO]- 483.20245 226.2
[M+Na-2H]- 445.16327 198.8
[M]+ 424.18805 204.5
[M]- 424.18915 204.5
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.