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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 > olefinic compound > enone > eupenicinicol a
... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > eupenicinicol 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 > alpha,beta-unsaturated ketone > enone > eupenicinicol a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > eupenicinicol a

Preferred term

eupenicinicol a  

Type

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

Broader concept

charge

  • 0

formula

  • C19H30O4

inchi

  • InChI=1S/C19H30O4/c1-5-11(2)14-7-6-13-17(12(3)10-15(21)18(13)23)19(14,4)16(22)8-9-20/h6-9,11-15,17-18,20-21,23H,5,10H2,1-4H3/b9-8-/t11-,12-,13-,14-,15-,17+,18+,19-/m1/s1

inchikey

  • RQTOOVRGXPIEGF-UTWZGQCGSA-N

mass

  • 322.445

monoisotopicmass

  • 322.21441

smiles

  • O=C(/C=C/O)[C@@]1([C@@H]2[C@@H](C=C[C@@H]1[C@@H](CC)C)[C@H](O)[C@H](O)C[C@H]2C)C

subset

  • 2_STAR

synonym EXACT

  • (Z)-1-[(1S,2S,4aR,5S,6R,8R,8aS)-2-[(2R)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-hydroxyprop-2-en-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203072

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