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COU : Summary
Code ![](/pdbe/static/images/help.png)
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COU
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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COUMARIN
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Synonyms ![](/pdbe/static/images/help.png)
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2H-1-BENZOPYRAN-2-ONE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C9 H6 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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146.143 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C2Oc1ccccc1C=C2 |
SMILES
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CACTVS |
3.341 |
O=C1Oc2ccccc2C=C1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)C=CC(=O)O2 |
Canonical SMILES
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CACTVS |
3.341 |
O=C1Oc2ccccc2C=C1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)C=CC(=O)O2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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17 (11 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2005-03-09
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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