CID 5315394

Yinyanghuo b

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(=CCC1=C(C(=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)CC(C(=C)C)O)O)C
InChI
InChI=1S/C25H26O6/c1-13(2)5-6-15-7-16(8-17(25(15)30)9-19(27)14(3)4)22-12-21(29)24-20(28)10-18(26)11-23(24)31-22/h5,7-8,10-12,19,26-28,30H,3,6,9H2,1-2,4H3
InChIKey
FIZBURLMLRCZTA-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

422.17294 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 202.2
[M+Na]+ 445.16216 208.9
[M-H]- 421.16566 205.7
[M+NH4]+ 440.20676 209.5
[M+K]+ 461.13610 204.6
[M+H-H2O]+ 405.17020 194.3
[M+HCOO]- 467.17114 213.8
[M+CH3COO]- 481.18679 225.7
[M+Na-2H]- 443.14761 198.3
[M]+ 422.17239 204.6
[M]- 422.17349 204.6
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

patents stripe