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CHEBI:3680 - chrysanthemic acid

ChEBI IDCHEBI:3680
ChEBI Namechrysanthemic acid
Stars
DefinitionA monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3.
Last Modified25 February 2016
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESCC(C)=CC1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)
InChIKeyXLOPRKKSAJMMEW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Tanacetum cinerariifolium (ncbitaxon:118510) - PubMed (24253739) Isolated by extraction from callus cultures.
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
chrysanthemic acid (CHEBI:3680) has functional parent cyclopropanecarboxylic acid (CHEBI:23500)
chrysanthemic acid (CHEBI:3680) has role plant metabolite (CHEBI:76924)
chrysanthemic acid (CHEBI:3680) is a cyclopropanes (CHEBI:51454)
chrysanthemic acid (CHEBI:3680) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
(EZ)-(1R)-empenthrin (CHEBI:39404) has functional parent chrysanthemic acid (CHEBI:3680)
allethrin (CHEBI:34572) has functional parent chrysanthemic acid (CHEBI:3680)
cyphenothrin (CHEBI:31450) has functional parent chrysanthemic acid (CHEBI:3680)
imiprothrin (CHEBI:39389) has functional parent chrysanthemic acid (CHEBI:3680)
phenothrin (CHEBI:34916) has functional parent chrysanthemic acid (CHEBI:3680)
prallethrin (CHEBI:39391) has functional parent chrysanthemic acid (CHEBI:3680)
resmethrin (CHEBI:8811) has functional parent chrysanthemic acid (CHEBI:3680)
tetramethrin (CHEBI:39397) has functional parent chrysanthemic acid (CHEBI:3680)
ε-momfluorothrin (CHEBI:87566) has functional parent chrysanthemic acid (CHEBI:3680)
cis-chrysanthemic acid (CHEBI:39103) is a chrysanthemic acid (CHEBI:3680)
trans-chrysanthemic acid (CHEBI:39101) is a chrysanthemic acid (CHEBI:3680)
IUPAC Name 
2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid
Synonyms  Source
Chrysanthemic acidKEGG COMPOUND
chrysanthemummonocarboxylic acidChemIDplus
ChrysanthemumsäureChEBI
Manual XrefsDatabases
C09842KEGG COMPOUND
CN101830795Patent
US2010210721Patent
LSM-21601LINCS
Registry NumbersSources
Beilstein:2043418Beilstein
CAS:10453-89-1KEGG COMPOUND
CAS:10453-89-1ChemIDplus
Citations