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MJ5 : Summary
Code ![](/pdbe/static/images/help.png)
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MJ5
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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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5-methyl-2-phenoxyphenol
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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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C13 H12 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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200.233 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(c1ccccc1)c2ccc(cc2O)C |
SMILES
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CACTVS |
3.370 |
Cc1ccc(Oc2ccccc2)c(O)c1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1ccc(c(c1)O)Oc2ccccc2 |
Canonical SMILES
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CACTVS |
3.370 |
Cc1ccc(Oc2ccccc2)c(O)c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1ccc(c(c1)O)Oc2ccccc2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HUPPMDCSGSHZHI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (15 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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2013-05-15
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Last modified at ![](/pdbe/static/images/help.png)
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2013-05-31
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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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