CID 129687399

Artonin v

Structural Information

Molecular Formula
C25H26O7
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3O)O)O)CC=C(C)C)C
InChI
InChI=1S/C25H26O7/c1-12(2)5-7-14-17(26)11-21(30)22-23(31)15(8-6-13(3)4)24(32-25(14)22)16-9-19(28)20(29)10-18(16)27/h5-6,9-11,26-30H,7-8H2,1-4H3
InChIKey
HZQCZAYJXNCOSH-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.16785 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17513 206.1
[M+Na]+ 461.15707 214.1
[M-H]- 437.16057 209.0
[M+NH4]+ 456.20167 212.7
[M+K]+ 477.13101 209.8
[M+H-H2O]+ 421.16511 198.4
[M+HCOO]- 483.16605 217.3
[M+CH3COO]- 497.18170 227.6
[M+Na-2H]- 459.14252 201.7
[M]+ 438.16730 209.6
[M]- 438.16840 209.6
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.