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- ChemComp-G1I: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol -

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Basic information

EntryDatabase: PDB chemical components / ID: G1I
NameName: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol

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Chemical information

Composition
Formula: C11H15NO3 / Number of atoms: 30 / Formula weight: 209.242 / Formal charge: 0
Others

7xka

Type: non-polymer / PDB classification: HETAIN / Three letter code: G1I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7XKA
History
Create componentMay 2, 2022
Initial releaseApr 26, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CN[CH]1CCc2c(O)c(O)ccc2[CH]1O
OpenEye OEToolkits 2.0.7CNC1CCc2c(ccc(c2O)O)C1O

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SMILES CANONICAL

CACTVS 3.385CN[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
OpenEye OEToolkits 2.0.7CN[C@@H]1CCc2c(ccc(c2O)O)[C@H]1O

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InChI

InChI 1.03InChI=1S/C11H15NO3/c1-12-8-4-2-7-6(10(8)14)3-5-9(13)11(7)15/h3,5,8,10,12-15H,2,4H2,1H3/t8-,10-/m1/s1

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InChIKey

InChI 1.03VJBMHARWYAGTQQ-PSASIEDQSA-N

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PDB entries

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