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FLU : Summary
Code |
FLU |
One-letter code |
X |
Molecule name |
2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID |
Synonyms |
FLUORESCEIN |
Systematic names |
|
Formula |
C20 H12 O5 |
Formal charge |
0 |
Molecular weight |
332.306 Da |
SMILES |
Type |
Program |
Version |
Descriptor |
SMILES |
ACDLabs |
10.04 |
O=C(O)c4ccccc4C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3 |
SMILES |
CACTVS |
3.341 |
OC(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 |
SMILES |
OpenEye OEToolkits |
1.5.0 |
c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O |
Canonical SMILES |
CACTVS |
3.341 |
OC(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 |
Canonical SMILES |
OpenEye OEToolkits |
1.5.0 |
c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O |
|
IUPAC InChI |
InChI=1S/C20H12O5/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/h1-10,21H,(H,23,24) |
IUPAC InChI key |
YKGGGCXBWXHKIZ-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count |
37 (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 |
2020-06-17 |
Status |
Released |
Obsoleted |
Not Assigned |
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