CID 10343070

Broussonol e

Structural Information

Molecular Formula
C25H26O7
SMILES
CC(=CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)O)O)C
InChI
InChI=1S/C25H26O7/c1-12(2)5-7-14-9-15(10-18(27)21(14)28)25-24(31)23(30)20-19(32-25)11-17(26)16(22(20)29)8-6-13(3)4/h5-6,9-11,26-29,31H,7-8H2,1-4H3
InChIKey
NQBROFAEMRVICP-UHFFFAOYSA-N
Compound name
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

32
Patents

438.16785 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17513 206.1
[M+Na]+ 461.15707 214.1
[M-H]- 437.16057 209.0
[M+NH4]+ 456.20167 212.7
[M+K]+ 477.13101 209.8
[M+H-H2O]+ 421.16511 198.4
[M+HCOO]- 483.16605 217.3
[M+CH3COO]- 497.18170 227.6
[M+Na-2H]- 459.14252 201.7
[M]+ 438.16730 209.6
[M]- 438.16840 209.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe