CID 73421

Fusarubin

Structural Information

Molecular Formula
C15H14O7
SMILES
CC1(CC2=C(CO1)C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O)O
InChI
InChI=1S/C15H14O7/c1-15(20)4-6-7(5-22-15)13(18)10-8(16)3-9(21-2)14(19)11(10)12(6)17/h3,17-18,20H,4-5H2,1-2H3
InChIKey
FKJXMYJPOKQPSS-UHFFFAOYSA-N
Compound name
3,5,10-trihydroxy-7-methoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-6,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

56
Patents

306.07394 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08122 162.6
[M+Na]+ 329.06316 173.0
[M-H]- 305.06666 165.8
[M+NH4]+ 324.10776 179.0
[M+K]+ 345.03710 171.3
[M+H-H2O]+ 289.07120 157.3
[M+HCOO]- 351.07214 176.3
[M+CH3COO]- 365.08779 201.2
[M+Na-2H]- 327.04861 167.9
[M]+ 306.07339 165.4
[M]- 306.07449 165.4
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.