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Chemistry, part 2

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Concept information

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

Preferred term

cucurbitarin a  

Type

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

Broader concept

charge

  • 0

formula

  • C19H18O3

inchi

  • InChI=1S/C19H18O3/c1-22-19-17(14-10-6-3-7-11-14)16(20)12-15(18(19)21)13-8-4-2-5-9-13/h2-11,15,18,21H,12H2,1H3/t15-,18+/m1/s1

inchikey

  • BTBSHUXAPRZUAZ-QAPCUYQASA-N

mass

  • 294.350

monoisotopicmass

  • 294.12559

smiles

  • O=C1C(C2=CC=CC=C2)=C(OC)[C@@H](O)[C@H](C1)C3=CC=CC=C3

subset

  • 2_STAR

synonym EXACT

  • (4S,5R)-4-hydroxy-3-methoxy-2,5-diphenylcyclohex-2-en-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207200

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