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Chemistry, part 1

Content language

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Concept information

organooxygen compound > tricholomenyn e

Preferred term

tricholomenyn e  

Type

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

Broader concept

charge

  • 0

formula

  • C36H36O12

has_functional_parent

inchi

  • InChI=1S/C36H36O12/c1-20(9-7-11-22(3)35(43)44)14-16-27-18-30(47-25(6)38)33(42)34(32(27)41)48-36(45)23(4)12-8-10-21(2)13-15-26-17-28(46-24(5)37)19-29(39)31(26)40/h11-12,17-19,30,33-34,39-40,42H,1-2,7-10H2,3-6H3,(H,43,44)/b22-11+,23-12+/t30-,33+,34+/m1/s1

inchikey

  • KGBCLGUIYVEELO-JPXDOWQKSA-N

mass

  • 660.672

monoisotopicmass

  • 660.22068

smiles

  • O=C1C(C#CC(=C)CC/C=C(/C(=O)O)/C)=C[C@@H](OC(=O)C)[C@@H]([C@H]1OC(=O)/C(=C/CCC(C#CC2=C(O)C(O)=CC(=C2)OC(=O)C)=C)/C)O

subset

  • 2_STAR

synonym EXACT

  • (E)-8-[(3R,4S,5R)-3-acetyloxy-5-[(E)-8-(5-acetyloxy-2,3-dihydroxyphenyl)-2-methyl-6-methylideneoct-2-en-7-ynoyl]oxy-4-hydroxy-6-oxocyclohexen-1-yl]-2-methyl-6-methylideneoct-2-en-7-ynoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223668

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