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SE2 : Summary
Code ![](/pdbe/static/images/help.png)
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SE2
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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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3-HYDROXY-2H-CHROMEN-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 O3
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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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162.142 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 |
12.01 |
O=C2Oc1ccccc1C=C2O |
SMILES
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CACTVS |
3.385 |
OC1=Cc2ccccc2OC1=O |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1ccc2c(c1)C=C(C(=O)O2)O |
Canonical SMILES
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CACTVS |
3.385 |
OC1=Cc2ccccc2OC1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1ccc2c(c1)C=C(C(=O)O2)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H |
IUPAC InChI key ![](/pdbe/static/images/help.png) | MJKVTPMWOKAVMS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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18 (12 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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2013-02-15
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Last modified at ![](/pdbe/static/images/help.png)
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2014-09-05
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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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