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

57
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

literature stripe

Patent stripe

patents stripe