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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 5-chloroacremine a
... > 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 > cyclic ketone > alicyclic ketone > cyclohexenones > 5-chloroacremine a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 5-chloroacremine a

Preferred term

5-chloroacremine a  

Type

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

Broader concept

charge

  • 0

formula

  • C12H17ClO4

inchi

  • InChI=1S/C12H17ClO4/c1-11(2,16)5-4-7-6-8(14)12(3,17)10(13)9(7)15/h4-6,9-10,15-17H,1-3H3/b5-4+/t9-,10+,12+/m1/s1

inchikey

  • BEHCJZAKUQKRSB-QTIKQWDBSA-N

mass

  • 260.710

monoisotopicmass

  • 260.08154

smiles

  • Cl[C@@H]1[C@@](O)(C(=O)C=C([C@H]1O)/C=C/C(O)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (4R,5S,6S)-5-chloro-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212036

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