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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > diol > shanorellin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > diol > shanorellin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > beta-hydroxy ketone > shanorellin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > beta-hydroxy ketone > shanorellin
organooxygen compound > carbonyl compound > ketone > beta-hydroxy ketone > shanorellin
... > 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 > beta-hydroxy ketone > shanorellin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > beta-hydroxy ketone > shanorellin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > enol > monohydroxy-1,4-benzoquinones > shanorellin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > enol > monohydroxy-1,4-benzoquinones > shanorellin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enol > monohydroxy-1,4-benzoquinones > shanorellin
1,4-benzoquinones > monohydroxy-1,4-benzoquinones > shanorellin

Preferred term

shanorellin  

Type

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

Broader concept

charge

  • 0

formula

  • C9H10O4

has_role

inchi

  • InChI=1S/C9H10O4/c1-4-6(3-10)9(13)8(12)5(2)7(4)11/h10,12H,3H2,1-2H3

inchikey

  • ISBZQQHZWPNKOK-UHFFFAOYSA-N

mass

  • 182.175

monoisotopicmass

  • 182.05791

smiles

  • CC1=C(O)C(=O)C(CO)=C(C)C1=O

subset

  • 3_STAR

synonym EXACT

  • 2-hydroxy-6-(hydroxymethyl)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione

synonym RELATED

  • 2,6-dimethyl-3-hydroxymethyl-5-hydroxy-1,4-benzoquinone
  • 2-hydroxy-6-hydroxymethyl-3,5-dimethyl-1,4-benzoquinone
  • 2-hydroxy-6-hydroxymethyl-3,5-dimethyl-2,5-cyclohexadiene-1,4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156385

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