CID 44260065

8-hydroxyquercetagetin

Structural Information

Molecular Formula
C15H10O9
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)O)O)O)O)O)O)O
InChI
InChI=1S/C15H10O9/c16-5-2-1-4(3-6(5)17)14-12(22)9(19)7-8(18)10(20)11(21)13(23)15(7)24-14/h1-3,16-18,20-23H
InChIKey
IVVIBMKOLWEERH-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5,6,7,8-pentahydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

334.03247 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03975 170.1
[M+Na]+ 357.02169 180.9
[M-H]- 333.02519 171.9
[M+NH4]+ 352.06629 179.4
[M+K]+ 372.99563 178.4
[M+H-H2O]+ 317.02973 163.2
[M+HCOO]- 379.03067 183.5
[M+CH3COO]- 393.04632 200.3
[M+Na-2H]- 355.00714 172.4
[M]+ 334.03192 172.5
[M]- 334.03302 172.5
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