CID 44260101

8-prenyllisetin

Structural Information

Molecular Formula
C26H26O7
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)OC4=C(C(=C(C=C34)OC)O)CC=C(C)C)C
InChI
InChI=1S/C26H26O7/c1-12(2)6-8-14-17(27)11-18(28)21-23(30)20-16-10-19(31-5)22(29)15(9-7-13(3)4)24(16)32-26(20)33-25(14)21/h6-7,10-11,27-29H,8-9H2,1-5H3
InChIKey
GQRNMTDWOFXCTJ-UHFFFAOYSA-N
Compound name
1,3,8-trihydroxy-9-methoxy-4,7-bis(3-methylbut-2-enyl)-[1]benzofuro[2,3-b]chromen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.16785 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.175126 210.8
[M+Na]+ 473.157068 222.0
[M-H]- 449.160574 216.6
[M+NH4]+ 468.201673 221.1
[M+K]+ 489.131008 218.9
[M+H-H2O]+ 433.165110 204.3
[M+HCOO]- 495.166051 225.0
[M+CH3COO]- 509.181701 233.5
[M+Na-2H]- 471.142516 210.0
[M]+ 450.16730142 222.2
[M]- 450.16839858 222.2
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

No patent data available for this compound.