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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > paeoniflorigenone
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > paeoniflorigenone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > monoterpenoid > paeoniflorigenone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > paeoniflorigenone
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > paeoniflorigenone

Preferred term

paeoniflorigenone  

Type

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

Broader concept

alt_id

  • CHEBI:69582

charge

  • 0

formula

  • C17H18O6

has_role

inchi

  • InChI=1S/C17H18O6/c1-16-8-13(18)11-7-17(16,20)23-15(22-16)12(11)9-21-14(19)10-5-3-2-4-6-10/h2-6,11-12,15,20H,7-9H2,1H3/t11-,12-,15+,16+,17-/m1/s1

inchikey

  • BANPEMKDTXIFRE-LQPBRMSDSA-N

mass

  • 318.322

monoisotopicmass

  • 318.11034

smiles

  • C1([C@@]2(C[C@@]3([C@](C1)(O[C@@](O3)([C@@H]2COC(C=4C=CC=CC4)=O)[H])C)O)[H])=O

subset

  • 3_STAR

synonym EXACT

  • [(2S,3aR,5R,7aS,8S)-3a-hydroxy-7a-methyl-6-oxohexahydro-2H-2,5-methano-1,3-benzodioxol-8-yl]methyl benzoate

synonym RELATED

  • (+)-Paeoniflorigenone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:132788

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