CID 44260075

3-demethyldigicitrin

Structural Information

Molecular Formula
C20H20O10
SMILES
COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O
InChI
InChI=1S/C20H20O10/c1-25-10-7-8(6-9(21)16(10)26-2)15-14(24)12(22)11-13(23)18(27-3)20(29-5)19(28-4)17(11)30-15/h6-7,21,23-24H,1-5H3
InChIKey
SBECGZQEVBSJHM-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.10565 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11293 192.2
[M+Na]+ 443.09487 203.0
[M-H]- 419.09837 198.8
[M+NH4]+ 438.13947 201.0
[M+K]+ 459.06881 203.7
[M+H-H2O]+ 403.10291 183.3
[M+HCOO]- 465.10385 210.0
[M+CH3COO]- 479.11950 225.9
[M+Na-2H]- 441.08032 193.6
[M]+ 420.10510 205.0
[M]- 420.10620 205.0
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

No patent data available for this compound.