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

Preferred term

libertellenone p  

Type

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

Broader concept

charge

  • 0

formula

  • C25H32O7

inchi

  • InChI=1S/C25H32O7/c1-6-18(27)31-13-23(5)17(32-14(3)26)10-15-11-24(15)21(23)20(29)19(28)16-12-22(4,7-2)8-9-25(16,24)30/h7,12,15,17,29-30H,2,6,8-11,13H2,1,3-5H3/t15-,17+,22-,23+,24-,25+/m0/s1

inchikey

  • XQLOOBQPQYOLAI-CGCPNZNOSA-N

mass

  • 444.524

monoisotopicmass

  • 444.21480

smiles

  • O=C1C(O)=C2[C@@]([C@H](OC(=O)C)C[C@@H]3[C@]2(C3)[C@@]4(C1=C[C@@](C=C)(CC4)C)O)(COC(=O)CC)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,5R,11R,12R,14R)-12-acetyloxy-5-ethenyl-2,9-dihydroxy-5,11-dimethyl-8-oxo-11-tetracyclo[8.5.0.01,14.02,7]pentadeca-6,9-dienyl]methyl propanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209876

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