skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > paecilosetin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > paecilosetin
... > 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 > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > paecilosetin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > paecilosetin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > pyrrolidinone > paecilosetin
... > 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 > organic heteromonocyclic compound > pyrrolidines > pyrrolidinone > paecilosetin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > pyrrolidinone > paecilosetin

Preferred term

paecilosetin  

Type

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

Broader concept

charge

  • 0

formula

  • C22H31NO4

inchi

  • InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-12(2)7-10-16(14)22(15,4)20(26)17-19(25)18(13(3)24)23-21(17)27/h5-6,8-9,12-16,18,24,26H,7,10-11H2,1-4H3,(H,23,27)/b6-5+,20-17+/t12-,13?,14-,15-,16-,18?,22-/m1/s1

inchikey

  • MOMBVLIMWZDBMW-SQYLZNHDSA-N

mass

  • 373.493

monoisotopicmass

  • 373.22531

smiles

  • O=C/1NC(C(O)C)C(/C1=C(/O)/[C@@]2([C@@H](C=C[C@H]3[C@H]2CC[C@H](C3)C)/C=C/C)C)=O

subset

  • 2_STAR

synonym EXACT

  • (3E)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214624

Download this concept:

RDF/XML TURTLE JSON-LD