CID 188524

Bolusanthin

Structural Information

Molecular Formula
C16H14O7
SMILES
COC1=C(C=C(C=C1)C2(COC3=CC(=CC(=C3C2=O)O)O)O)O
InChI
InChI=1S/C16H14O7/c1-22-12-3-2-8(4-10(12)18)16(21)7-23-13-6-9(17)5-11(19)14(13)15(16)20/h2-6,17-19,21H,7H2,1H3
InChIKey
XCIMIGGTZKYBOR-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-3-(3-hydroxy-4-methoxyphenyl)-2H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.07394 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08122 168.3
[M+Na]+ 341.06316 177.6
[M-H]- 317.06666 172.6
[M+NH4]+ 336.10776 182.0
[M+K]+ 357.03710 175.4
[M+H-H2O]+ 301.07120 161.8
[M+HCOO]- 363.07214 183.2
[M+CH3COO]- 377.08779 199.1
[M+Na-2H]- 339.04861 173.2
[M]+ 318.07339 169.9
[M]- 318.07449 169.9
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

patents stripe