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CHEBI:27815 - pyrethrin I

ChEBI IDCHEBI:27815
ChEBI Namepyrethrin I
Stars
Secondary ChEBI IDsCHEBI:8659, CHEBI:26411
Last Modified20 June 2019
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILESC=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O
InChIInChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1
InChIKeyROVGZAWFACYCSP-VUMXUWRFSA-N
Roles Classification
Application:
phytogenic insecticide  An insecticide compound naturally occurring in plants.
ChEBI Ontology
Outgoing Relation(s)
pyrethrin I (CHEBI:27815) has functional parent (Z,S)-pyrethrolone (CHEBI:39111)
pyrethrin I (CHEBI:27815) is a pyrethrins (CHEBI:39098)
Incoming Relation(s)
pyrethrin II (CHEBI:27474) has functional parent pyrethrin I (CHEBI:27815)
IUPAC Name 
(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Synonyms  Source
Pyrethrin IKEGG COMPOUND
chrysanthemum monocarboxylic acid pyrethrolone esterChemIDplus
UniProt Name  Source
pyrethrin IUniProt
Manual XrefsDatabases
C07594KEGG COMPOUND
C00003056KNApSAcK
D08452KEGG DRUG
Registry NumbersSources
Beilstein:2004306Beilstein
CAS:121-21-1KEGG COMPOUND
CAS:121-21-1ChemIDplus