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
1
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 167.4
[M+Na]+ 335.05262 183.6
[M+NH4]+ 330.09722 175.2
[M+K]+ 351.02656 178.0
[M-H]- 311.05612 172.5
[M+Na-2H]- 333.03807 170.3
[M]+ 312.06285 171.3
[M]- 312.06395 171.3
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