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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > aromatic ketone > 3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > 3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > 3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one

Preferred term

3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C24H31NO7

inchi

  • InChI=1S/C24H31NO7/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-19(27)15(10-25(31)23(18)29)24(30)8-7-16(26)21-22(24)32-21/h4-5,10-14,16-17,21-22,26-27,30-31H,3,6-9H2,1-2H3/t11-,12-,13-,14-,16?,17-,21?,22?,24?/m0/s1

inchikey

  • XYUAOFMUDNWQRJ-BIABNVDZSA-N

mass

  • 445.512

monoisotopicmass

  • 445.21005

smiles

  • O=C1N(O)C=C(C2(O)C3OC3C(O)CC2)C(=C1C(=O)[C@@H]4[C@@H]5[C@@H](C=C[C@@H]4C)C[C@@H](C)CC5)O

subset

  • 2_STAR

synonym EXACT

  • 3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-1,4-dihydroxypyridin-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203512

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