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

Preferred term

bisvertinolone  

Type

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

Broader concept

charge

  • 0

formula

  • C28H32O9

inchi

  • InChI=1S/C28H32O9/c1-7-9-11-13-16(29)18-20(31)15(3)22(32)26(5)21(18)25(4)23(33)19(17(30)14-12-10-8-2)24(34)27(6,35)28(25,36)37-26/h7-14,21,29-31,35-36H,1-6H3/b9-7+,10-8+,13-11+,14-12+,18-16+,19-17-/t21-,25-,26+,27+,28+/m1/s1

inchikey

  • NWYGQCMFWAOARK-TZCGFCPBSA-N

mass

  • 512.555

monoisotopicmass

  • 512.20463

smiles

  • O=C1/C(/C(=O)[C@]2([C@H]3/C(/C(O)=C(C([C@]3(O[C@@]2([C@]1(O)C)O)C)=O)C)=C(/O)/C=C/C=C/C)C)=C(/O)/C=C/C=C/C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209639

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