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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > aromatic ketone > benzophenones > cephalanone b
... > 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 > aromatic ketone > benzophenones > cephalanone b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > benzophenones > cephalanone b

Preferred term

cephalanone b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H19ClO8

inchi

  • InChI=1S/C21H19ClO8/c1-10(20(25)26)7-8-30-14-6-4-5-12(15(14)21(27)28)18(24)16-13(23)9-11(2)17(22)19(16)29-3/h4-10,23H,1-3H3,(H,25,26)(H,27,28)/t10-/m1/s1

inchikey

  • YQNKIXXARYJTMX-SNVBAGLBSA-N

mass

  • 434.830

monoisotopicmass

  • 434.07685

smiles

  • ClC1=C(OC)C(=C(O)C=C1C)C(=O)C2=C(C(OC=C[C@H](C(=O)O)C)=CC=C2)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • 2-[(3R)-3-carboxybut-1-enoxy]-6-(3-chloro-6-hydroxy-2-methoxy-4-methylbenzoyl)benzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207063

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