![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
O9Z : Summary
Code ![](/pdbe/static/images/help.png)
|
O9Z
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C15 H9 F O4
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
272.228 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F |
Canonical SMILES
|
CACTVS |
3.385 |
Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XSYORHATJHJUAA-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
29 (20 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
non-polymer
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2020-02-25
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-08-14
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|