CID 44260090

Fasciculiferin

Structural Information

Molecular Formula
C16H10O7
SMILES
C1=CC2=C(C=C1O)OC3=C(C2=O)OC(C4=CC(=C(C=C43)O)O)O
InChI
InChI=1S/C16H10O7/c17-6-1-2-7-12(3-6)22-14-8-4-10(18)11(19)5-9(8)16(21)23-15(14)13(7)20/h1-5,16-19,21H
InChIKey
KTGIGCXEXRYMMK-UHFFFAOYSA-N
Compound name
2,3,5,10-tetrahydroxy-5H-isochromeno[4,3-b]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.04266 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04994 164.4
[M+Na]+ 337.03188 175.8
[M-H]- 313.03538 168.6
[M+NH4]+ 332.07648 177.3
[M+K]+ 353.00582 173.9
[M+H-H2O]+ 297.03992 157.5
[M+HCOO]- 359.04086 177.6
[M+CH3COO]- 373.05651 175.9
[M+Na-2H]- 335.01733 172.4
[M]+ 314.04211 168.2
[M]- 314.04321 168.2
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.