CID 14018348

Boeravinone b

Structural Information

Molecular Formula
C17H12O6
SMILES
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O
InChI
InChI=1S/C17H12O6/c1-7-9(18)6-11-13(14(7)19)15(20)12-8-4-2-3-5-10(8)23-17(21)16(12)22-11/h2-6,17-19,21H,1H3
InChIKey
YVVDYYFGAWQOGB-UHFFFAOYSA-N
Compound name
6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

24
Patents

312.0634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07068 166.4
[M+Na]+ 335.05262 178.0
[M-H]- 311.05612 171.8
[M+NH4]+ 330.09722 180.2
[M+K]+ 351.02656 175.9
[M+H-H2O]+ 295.06066 159.3
[M+HCOO]- 357.06160 180.6
[M+CH3COO]- 371.07725 178.3
[M+Na-2H]- 333.03807 174.0
[M]+ 312.06285 170.6
[M]- 312.06395 170.6
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.