CID 44257314

Viridiflorin

Structural Information

Molecular Formula
C22H22O7
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C=C3OC)O)OC)O)C
InChI
InChI=1S/C22H22O7/c1-11(2)5-6-12-15(23)8-19-20(21(12)25)22(26)14(10-29-19)13-7-18(28-4)16(24)9-17(13)27-3/h5,7-10,23-25H,6H2,1-4H3
InChIKey
LOFJXYSYEDFQAI-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

398.13657 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 193.1
[M+Na]+ 421.12579 202.5
[M-H]- 397.12929 198.8
[M+NH4]+ 416.17039 202.6
[M+K]+ 437.09973 199.9
[M+H-H2O]+ 381.13383 184.8
[M+HCOO]- 443.13477 209.2
[M+CH3COO]- 457.15042 221.2
[M+Na-2H]- 419.11124 192.9
[M]+ 398.13602 200.0
[M]- 398.13712 200.0
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