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7NP : Summary
Code ![](/pdbe/static/images/help.png)
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7NP
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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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(2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-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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C12 H14 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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190.238 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=C2c1c(ccc(OC)c1)CCC2C |
SMILES
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CACTVS |
3.385 |
COc1ccc2CC[CH](C)C(=O)c2c1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1CCc2ccc(cc2C1=O)OC |
Canonical SMILES
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CACTVS |
3.385 |
COc1ccc2CC[C@H](C)C(=O)c2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C[C@H]1CCc2ccc(cc2C1=O)OC |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H14O2/c1-8-3-4-9-5-6-10(14-2)7-11(9)12(8)13/h5-8H,3-4H2,1-2H3/t8-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YVPRDJIRFPVNJW-QMMMGPOBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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28 (14 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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2014-06-09
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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