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CHEBI:189353 - Pironetin

ChEBI IDCHEBI:189353
ChEBI NamePironetin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O4
Net Charge0
Average Mass324.461
Monoisotopic Mass324.23006
SMILESC/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@H](O)C[C@H]1OC(=O)C=C[C@H]1CC
InChIInChI=1S/C19H32O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,10-11,13-17,19-20H,7,9,12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1
InChIKeyXIHGDBYGUWEHCV-FSEPSNHWSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Pironetin (CHEBI:189353) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2R,3R)-3-ethyl-2-[(E,2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-2,3-dihydropyran-6-one
Manual XrefsDatabases
4943334ChemSpider
Registry NumbersSources
CAS:151519-02-7ChemIDplus