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Chemistry, part 3

Content language

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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 > aromatic ketone > celastramycin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > celastramycin a
... > 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 > aromatic ketone > celastramycin a
... > 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 > celastramycin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > celastramycin a

Preferred term

celastramycin a  

Type

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

Broader concept

charge

  • 0

formula

  • C17H18Cl3NO3

inchi

  • InChI=1S/C17H18Cl3NO3/c1-2-3-4-5-6-9-7-11(18)16(24)12(14(9)22)15(23)10-8-21-17(20)13(10)19/h7-8,21-22,24H,2-6H2,1H3

inchikey

  • JCODZTWACRQCLZ-UHFFFAOYSA-N

mass

  • 390.690

monoisotopicmass

  • 389.03523

smiles

  • ClC1=C(O)C(=C(O)C(=C1)CCCCCC)C(=O)C=2C(Cl)=C(Cl)NC2

subset

  • 2_STAR

synonym EXACT

  • (3-chloro-5-hexyl-2,6-dihydroxyphenyl)-(4,5-dichloro-1H-pyrrol-3-yl)methanone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217610

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