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MUX : Summary
Code
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MUX
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One-letter code
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X
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Molecule name
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(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate
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Systematic names
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Formula
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C10 H8 O6 S
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Formal charge
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0
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Molecular weight
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256.232 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=S(=O)(O)Oc2ccc1c(OC(=O)C=C1C)c2 |
SMILES
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CACTVS |
3.385 |
CC1=CC(=O)Oc2cc(O[S](O)(=O)=O)ccc12 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
CC1=CC(=O)Oc2cc(O[S](O)(=O)=O)ccc12 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O |
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IUPAC InChI | InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14) |
IUPAC InChI key | FUYLLJCBCKRIAL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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25 (17 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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2014-02-21
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Last modified at
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2014-09-05
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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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