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Concept information

organooxygen compound > atlantinone a

Preferred term

atlantinone a  

Type

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

charge

  • 0

formula

  • C26H34O6

inchi

  • InChI=1S/C26H34O6/c1-13-12-16-23(5,26(21(30)31-7)19(28)14(2)18(27)24(13,26)6)10-8-15-22(3,4)17-9-11-25(15,16)20(29)32-17/h12,15-17,27H,8-11H2,1-7H3/t15-,16-,17+,23+,24+,25+,26-/m1/s1

inchikey

  • LGIBRQVYYFOBSF-OGMOAHJASA-N

mass

  • 442.552

monoisotopicmass

  • 442.23554

smiles

  • O=C1O[C@@H]2C(C)(C)[C@@H]3[C@]1([C@@H]4C=C([C@]5(C(O)=C(C([C@]5([C@]4(CC3)C)C(=O)OC)=O)C)C)C)CC2

subset

  • 2_STAR

synonym EXACT

  • methyl (1S,2R,5R,9R,10S,13R,15S)-6-hydroxy-4,5,7,10,14,14-hexamethyl-8,17-dioxo-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-3,6-diene-9-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203254

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