CID 11383767

5,7,3',4',5'-pentahydroxy-3,6,8-trimethoxyflavone

Structural Information

Molecular Formula
C18H16O10
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)O)O)OC)OC)O
InChI
InChI=1S/C18H16O10/c1-25-16-11(22)9-12(23)17(26-2)14(28-15(9)18(27-3)13(16)24)6-4-7(19)10(21)8(20)5-6/h4-5,19-22,24H,1-3H3
InChIKey
STOZTZBHYTVXHP-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3,6,8-trimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

392.07434 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.08162 184.6
[M+Na]+ 415.06356 195.3
[M-H]- 391.06706 188.8
[M+NH4]+ 410.10816 193.0
[M+K]+ 431.03750 194.9
[M+H-H2O]+ 375.07160 176.5
[M+HCOO]- 437.07254 200.0
[M+CH3COO]- 451.08819 216.6
[M+Na-2H]- 413.04901 186.0
[M]+ 392.07379 193.2
[M]- 392.07489 193.2
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