CID 21676261

Muscomosin

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=C(C=C2C(=C1)CC23COC4=CC(=CC(=C4C3=O)O)O)O
InChI
InChI=1S/C17H14O6/c1-22-13-2-8-6-17(10(8)5-11(13)19)7-23-14-4-9(18)3-12(20)15(14)16(17)21/h2-5,18-20H,6-7H2,1H3
InChIKey
UVAGPWQTXXDQIY-UHFFFAOYSA-N
Compound name
4',5,7-trihydroxy-3'-methoxyspiro[2H-chromene-3,7'-bicyclo[4.2.0]octa-1,3,5-triene]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07904 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 168.3
[M+Na]+ 337.06826 177.5
[M+NH4]+ 332.11286 172.9
[M+K]+ 353.04220 172.4
[M-H]- 313.07176 168.7
[M+Na-2H]- 335.05371 169.9
[M]+ 314.07849 168.7
[M]- 314.07959 168.7
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.