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F2X : Summary
Code
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F2X
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One-letter code
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X
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Molecule name
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(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
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Systematic names
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Formula
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C11 H10 O3
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Formal charge
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0
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Molecular weight
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190.195 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
C[CH]1CC(=O)c2c(O)cccc2C1=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1CC(=O)c2c(cccc2O)C1=O |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H]1CC(=O)c2c(O)cccc2C1=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@@H]1CC(=O)c2c(cccc2O)C1=O |
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IUPAC InChI | InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1 |
IUPAC InChI key | ALPCEXCHMFUSAN-ZCFIWIBFSA-N |
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wwPDB Information |
Atom count
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24 (14 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2020-03-18
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Last modified at
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2020-07-24
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Status
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Released
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Obsoleted
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Not Assigned
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