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CHEBI:27474 - pyrethrin II

ChEBI IDCHEBI:27474
ChEBI Namepyrethrin II
Stars
Secondary ChEBI IDsCHEBI:8660, CHEBI:26412
Last Modified20 June 2019
DownloadsMolfile
FormulaC22H28O5
Net Charge0
Average Mass372.461
Monoisotopic Mass372.19367
SMILESC=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O
InChIInChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1
InChIKeyVJFUPGQZSXIULQ-XIGJTORUSA-N
Roles Classification
Application:
phytogenic insecticide  An insecticide compound naturally occurring in plants.
ChEBI Ontology
Outgoing Relation(s)
pyrethrin II (CHEBI:27474) has functional parent pyrethrin I (CHEBI:27815)
pyrethrin II (CHEBI:27474) is a pyrethrins (CHEBI:39098)
IUPAC Name 
(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
Synonym  Source
Pyrethrin IIKEGG COMPOUND
UniProt Name  Source
pyrethrin IIUniProt
Manual XrefsDatabases
C09894KEGG COMPOUND
C00003057KNApSAcK
Registry NumbersSources
Beilstein:2179753Beilstein
CAS:121-29-9KEGG COMPOUND
CAS:121-29-9ChemIDplus