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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 > lsm-3768
... > 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 > lsm-3768
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > lsm-3768

Preferred term

lsm-3768  

Type

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

Broader concept

charge

  • 0

formula

  • C31H38N2O7

inchi

  • InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,26,28-29,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/t19-,28-,29-,31+/m1/s1

inchikey

  • XIZGHTZLVCHYJN-RLIBEECYSA-N

mass

  • 550.644

monoisotopicmass

  • 550.26790

smiles

  • CCCC[C@@H](C)C=C(C)C=C(C)C(=O)NC1=C[C@]([C@H]2[C@@H](C1=O)O2)(C=CC=CC=CC(=O)NC3C(=O)CCC3=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93385

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