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

Preferred term

emervaridione  

Type

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

Broader concept

charge

  • 0

formula

  • C25H28O5

inchi

  • InChI=1S/C25H28O5/c1-13-17-18(27)21(4)10-14-19(28)30-12-24(13,14)23(11-21)9-6-15-20(2,3)16(26)7-8-22(15,5)25(17,23)29/h7-8,10,15,17,29H,1,6,9,11-12H2,2-5H3/t15-,17+,21+,22-,23+,24-,25+/m0/s1

inchikey

  • PVPGSCDIOLQZOG-HWNCAFQRSA-N

mass

  • 408.494

monoisotopicmass

  • 408.19367

smiles

  • O=C1C=C[C@@]2([C@@]3(O)[C@]4([C@@]56C(C(=O)OC5)=C[C@@](C4)(C)C([C@H]3C6=C)=O)CC[C@H]2C1(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,3S,8R,11R,13S,19S)-2-hydroxy-3,7,7,13-tetramethyl-20-methylidene-17-oxahexacyclo[11.7.1.02,11.03,8.011,19.015,19]henicosa-4,14-diene-6,16,21-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206548

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