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Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > sch 47918
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > sch 47918
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > sch 47918
... > 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 > sch 47918
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > sch 47918

Preferred term

sch 47918  

Type

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

Broader concept

charge

  • 0

formula

  • C20H28O3

inchi

  • InChI=1S/C20H28O3/c1-13-6-5-10-20(4)18(23-20)17(22)15-8-7-14(2)19(3,11-9-13)16(15)12-21/h6,8,12,14,16,18H,5,7,9-11H2,1-4H3/b13-6+

inchikey

  • QQJPKWMYESOJFA-AWNIVKPZSA-N

mass

  • 316.441

monoisotopicmass

  • 316.20384

smiles

  • O=C1C2=CCC(C)C(C2C=O)(CCC(C)=CCCC3(C1O3)C)C

subset

  • 2_STAR

synonym EXACT

  • (8E)-5,9,12,13-tetramethyl-2-oxo-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-diene-16-carbaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222807

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