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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 > jbir-59
... > 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 > jbir-59
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > jbir-59

Preferred term

jbir-59  

Type

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

Broader concept

charge

  • 0

formula

  • C23H28O7

inchi

  • InChI=1S/C23H28O7/c1-7-8-9-10-14(24)16-17(26)13(3)19(27)21(5)18(16)20(4)15(25)11-12(2)22(6,28)23(20,29)30-21/h7-11,18,24,26,28-29H,1-6H3/b8-7+,10-9+,16-14+/t18-,20+,21+,22-,23-/m1/s1

inchikey

  • UMHDERWNUIJLJA-YJYGGFIMSA-N

mass

  • 416.470

monoisotopicmass

  • 416.18350

smiles

  • O=C1C(=C(O)/C(=C(/O)/C=C/C=C/C)/[C@H]2[C@@]1(O[C@@]3(O)[C@](O)(C(C)=CC([C@@]23C)=O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (4R,4aR,5aS,9Z,9aR,9bR)-4,4a,8-trihydroxy-9-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-3,4,5a,7,9b-pentamethyl-9aH-dibenzouran-1,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212542

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