skip to main content

Chemistry, part 2

Content language

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

Concept information

organooxygen compound > oxacycle > pestalofone a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalofone a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalofone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalofone a

Preferred term

pestalofone a  

Type

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

Broader concept

charge

  • 0

formula

  • C16H22O3

inchi

  • InChI=1S/C16H22O3/c1-10(2)5-6-12-9-13(17)15-16(19-15,14(12)18)8-7-11(3)4/h5-7,13,15,17H,8-9H2,1-4H3/b12-6+/t13-,15-,16+/m0/s1

inchikey

  • XPTXPZUFXASXPQ-KHCQGZIYSA-N

mass

  • 262.349

monoisotopicmass

  • 262.15689

smiles

  • O=C1/C(=C/C=C(C)C)/C[C@H](O)[C@H]2[C@@]1(O2)CC=C(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3E,5S,6S)-5-hydroxy-1-(3-methylbut-2-enyl)-3-(3-methylbut-2-enylidene)-7-oxabicyclo[4.1.0]heptan-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206500

Download this concept:

RDF/XML TURTLE JSON-LD