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

Preferred term

penicillitone  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O5

inchi

  • InChI=1S/C28H40O5/c1-14(2)15(3)7-8-16(4)19-11-20(30)18-13-26(19,5)24(32)21-22(18)27(6)10-9-17(29)12-28(27)25(33-28)23(21)31/h7-8,14-20,25,29-30H,9-13H2,1-6H3/b8-7+/t15-,16+,17-,18-,19+,20-,25-,26+,27+,28-/m0/s1

inchikey

  • NQJNHLHHPPGXNC-BBWXRXDESA-N

mass

  • 456.623

monoisotopicmass

  • 456.28757

smiles

  • O=C1C2=C([C@@]3([C@]4(C[C@@H](O)CC3)[C@H](C2=O)O4)C)[C@@H]5[C@@H](O)C[C@@H]([C@]1(C5)C)[C@@H](/C=C/[C@@H](C(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3R,6S,8R,10R,14R,15R,17S)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,17-dihydroxy-3,14-dimethyl-9-oxapentacyclo[12.3.1.02,12.03,8.08,10]octadec-2(12)-ene-11,13-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207530

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