CID 14237663

Lupinisoflavone i

Structural Information

Molecular Formula
C25H26O7
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C4=C(C=C3)OC(C4)C(C)(C)O)O)O)C
InChI
InChI=1S/C25H26O7/c1-12(2)5-6-14-17(26)10-19-21(23(14)28)24(29)16(11-31-19)13-7-8-18-15(22(13)27)9-20(32-18)25(3,4)30/h5,7-8,10-11,20,26-28,30H,6,9H2,1-4H3
InChIKey
SJURKDVGGXRZLU-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.16785 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17513 205.8
[M+Na]+ 461.15707 213.9
[M-H]- 437.16057 211.6
[M+NH4]+ 456.20167 214.4
[M+K]+ 477.13101 211.3
[M+H-H2O]+ 421.16511 200.0
[M+HCOO]- 483.16605 215.8
[M+CH3COO]- 497.18170 227.4
[M+Na-2H]- 459.14252 205.5
[M]+ 438.16730 210.5
[M]- 438.16840 210.5
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.