CID 11743840

Broussonol c

Structural Information

Molecular Formula
C25H26O7
SMILES
CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC(=C(C(=C4)O)O)CC=C(C)C)O)(C)C
InChI
InChI=1S/C25H26O7/c1-11(2)6-7-13-8-14(9-16(27)20(13)28)23-22(30)21(29)18-15(26)10-17-19(24(18)32-23)25(4,5)12(3)31-17/h6,8-10,12,26-28,30H,7H2,1-5H3
InChIKey
SOQFBCLXNNQJDD-UHFFFAOYSA-N
Compound name
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

438.16785 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17513 205.4
[M+Na]+ 461.15707 216.0
[M-H]- 437.16057 211.9
[M+NH4]+ 456.20167 216.5
[M+K]+ 477.13101 213.1
[M+H-H2O]+ 421.16511 199.7
[M+HCOO]- 483.16605 216.8
[M+CH3COO]- 497.18170 229.3
[M+Na-2H]- 459.14252 203.7
[M]+ 438.16730 211.8
[M]- 438.16840 211.8
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