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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 > pseurotin a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > pseurotin a1
... > 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 > pseurotin a1
... > 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 > pseurotin a1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > pseurotin a1

Preferred term

pseurotin a1  

Type

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

Broader concept

charge

  • 0

formula

  • C22H25NO8

inchi

  • InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/t14-,15-,19-,21+,22+/m0/s1

inchikey

  • SLYDIPAXCVVRNY-DMSUYQCJSA-N

mass

  • 431.441

monoisotopicmass

  • 431.15802

smiles

  • O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@@]13OC([C@@H](O)[C@@H](O)C=CCC)=C(C3=O)C)O

subset

  • 2_STAR

synonym EXACT

  • (5S,8S,9S)-8-benzoyl-2-[(1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217531

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