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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 > myrothecol e
... > 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 > myrothecol e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > myrothecol e

Preferred term

myrothecol e  

Type

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

Broader concept

charge

  • 0

formula

  • C24H34O6

inchi

  • InChI=1S/C24H34O6/c1-14-6-7-18-22(3,13-29-15(2)26)8-5-9-23(18,4)17(14)11-24-19(27)10-16(12-25)20(28)21(24)30-24/h10,17-18,20-21,25,28H,1,5-9,11-13H2,2-4H3/t17-,18-,20-,21+,22-,23+,24-/m0/s1

inchikey

  • RNYUTVWIONIUFX-DXRILCQASA-N

mass

  • 418.530

monoisotopicmass

  • 418.23554

smiles

  • O=C1C=C([C@H](O)[C@@H]2[C@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCC[C@]4(COC(=O)C)C)C)CO

subset

  • 2_STAR

synonym EXACT

  • [(1R,4aR,5S,8aR)-5-[[(1R,5S,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]methyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203028

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