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CHEBI:25 - (+)-iridodial

ChEBI IDCHEBI:25
ChEBI Name(+)-iridodial
Stars
DefinitionAn iridodial that is (1R,2R)-2-[(2R)-1-oxopropan-2-yl]cyclopentanecarbaldehyde substituted by a methyl group at position 2 (2S-stereoisomer).
Last Modified22 January 2015
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILES[H][C@@]1(C=O)[C@@H](C)CC[C@]1([H])[C@@H](C)C=O
InChIInChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKeyHMCYXRFNNOPPPR-AXTSPUMRSA-N
Roles Classification
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)
(+)-iridodial (CHEBI:25) has role plant metabolite (CHEBI:76924)
(+)-iridodial (CHEBI:25) is a iridodial (CHEBI:5964)
IUPAC Name 
(1R,2S,5R)-2-methyl-5-[(1R)-1-methyl-2-oxoethyl]cyclopentanecarbaldehyde
Synonym  Source
(+)-IridodialKEGG COMPOUND
Manual XrefsDatabases
C09785KEGG COMPOUND
LMPR0102070011LIPID MAPS
C00003085KNApSAcK
Registry NumbersSources
Reaxys:4377783Reaxys
CAS:550-45-8KEGG COMPOUND
CAS:550-45-8ChemIDplus