|
FDS : Summary
Code
|
FDS
|
One-letter code
|
X
|
Molecule name
|
FLUORESCIN
|
Systematic names
|
|
Formula
|
C20 H14 O5
|
Formal charge
|
0
|
Molecular weight
|
334.322 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)c1ccccc1C3c4c(Oc2c3ccc(O)c2)cc(O)cc4 |
SMILES
|
CACTVS |
3.341 |
OC(=O)c1ccccc1[CH]2c3ccc(O)cc3Oc4cc(O)ccc24 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O |
Canonical SMILES
|
CACTVS |
3.341 |
OC(=O)c1ccccc1[C@@H]2c3ccc(O)cc3Oc4cc(O)ccc24 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O |
|
IUPAC InChI | InChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,19,21-22H,(H,23,24) |
IUPAC InChI key | MURGITYSBWUQTI-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
39 (25 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
1999-07-08
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|