skip to main content

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 > 7-bromounguinol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > 7-bromounguinol
... > 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 > 7-bromounguinol
... > 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 > 7-bromounguinol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > 7-bromounguinol

Preferred term

7-bromounguinol  

Type

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

Broader concept

charge

  • 0

formula

  • C19H17BrO5

inchi

  • InChI=1S/C19H17BrO5/c1-5-8(2)14-15(20)16(22)10(4)17-18(14)24-12-7-11(21)6-9(3)13(12)19(23)25-17/h5-7,21-22H,1-4H3/b8-5+

inchikey

  • MQLAWUIMBJTRIO-VMPITWQZSA-N

mass

  • 405.244

monoisotopicmass

  • 404.02594

smiles

  • BrC1=C(O)C(=C2OC(=O)C3=C(OC2=C1/C(=C/C)/C)C=C(O)C=C3C)C

subset

  • 2_STAR

synonym EXACT

  • 2-bromo-1-[(E)-but-2-en-2-yl]-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215583

Download this concept:

RDF/XML TURTLE JSON-LD