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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:27815 - pyrethrin I
Main
ChEBI Ontology
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ChEBI Name
pyrethrin I
ChEBI ID
CHEBI:27815
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:8659, CHEBI:26411
Supplier Information
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Formula
C21H28O3
Net Charge
0
Average Mass
328.44522
Monoisotopic Mass
328.20384
InChI
InChI=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
InChIKey
ROVGZAWFACYCSP-VUMXUWRFSA-N
SMILES
CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(C\C=C/C=C)=C2C)C1(C)C
Roles Classification
Application
(s):
phytogenic insecticide
An insecticide compound naturally occurring in plants.
(via
pyrethrins
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pyrethrin I (
CHEBI:27815
)
has functional parent
(
Z
,
S
)-pyrethrolone (
CHEBI:39111
)
pyrethrin I (
CHEBI:27815
)
is a
pyrethrins (
CHEBI:39098
)
Incoming
pyrethrin II (
CHEBI:27474
)
has functional parent
pyrethrin I (
CHEBI:27815
)
IUPAC Name
(1
S
)-
2-
methyl-
4-
oxo-
3-
[(2
Z
)-
penta-
2,4-
dien-
1-
yl]cyclopent-
2-
en-
1-
yl (1
R
,3
R
)-
2,2-
dimethyl-
3-
(2-
methylprop-
1-
en-
1-
yl)cyclopropanecarboxylate
Synonyms
Sources
chrysanthemum monocarboxylic acid pyrethrolone ester
ChemIDplus
Pyrethrin I
KEGG COMPOUND
pyrethrin I
UniProt
Manual Xrefs
Databases
C00003056
KNApSAcK
C07594
KEGG COMPOUND
D08452
KEGG DRUG
View more database links
Registry Numbers
Types
Sources
121-21-1
CAS Registry Number
ChemIDplus
2004306
Beilstein Registry Number
ChemIDplus
Last Modified
20 June 2019