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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > trisorbicillinone c
... > 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 > trisorbicillinone c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > trisorbicillinone c

Preferred term

trisorbicillinone c  

Type

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

Broader concept

charge

  • 0

formula

  • C42H48O13

inchi

  • InChI=1S/C42H48O13/c1-10-12-14-16-23(43)26-29-20(3)22(37(5,33(26)48)36(51)39(29,7)52)18-19-25(45)27-30(46)21(4)32(47)40(8)31(27)38(6)34(49)28(24(44)17-15-13-11-2)35(50)41(9,53)42(38,54)55-40/h10-20,22,29,31,43-46,52-54H,1-9H3/b12-10+,13-11+,16-14+,17-15+,19-18+,26-23?,27-25?,28-24?/t20-,22-,29+,31-,37-,38-,39+,40+,41+,42-/m1/s1

inchikey

  • MPYCEVVCKUKTDZ-BZRIUWCUSA-N

mass

  • 760.833

monoisotopicmass

  • 760.30949

smiles

  • O=C1C(C(=O)[C@]2([C@H]3C(C(O)=C(C([C@]3(O[C@]2([C@]1(O)C)O)C)=O)C)=C(O)/C=C/[C@H]4[C@@]5(C(=O)C(=C(O)/C=C/C=C/C)[C@H]([C@@H]4C)[C@@](C5=O)(O)C)C)C)=C(O)/C=C/C=C/C

subset

  • 2_STAR

synonym EXACT

  • (4S,4aR,5aS,9aR,9bR)-4,4a,8-trihydroxy-2-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-9-[(E)-1-hydroxy-3-[(1R,2R,3R,4S,5S)-5-hydroxy-8-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3,5-trimethyl-6,7-dioxo-2-bicyclo[2.2.2]octanyl]prop-2-enylidene]-4,5a,7,9b-tetramethyl-9aH-dibenzouran-1,3,6-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215287

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