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CHEBI:198982 - Modiolin

ChEBI IDCHEBI:198982
ChEBI NameModiolin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O3
Net Charge0
Average Mass212.289
Monoisotopic Mass212.14124
SMILESCCOC(=O)/C=C\C=C\CCC[C@@H](C)O
InChIInChI=1S/C12H20O3/c1-3-15-12(14)10-8-6-4-5-7-9-11(2)13/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3/b6-4+,10-8-/t11-/m1/s1
InChIKeyLTHMZLZFQXPZHS-BTIHDQLTSA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeria (ncbitaxon:125369) - PubMed (12662103)
ChEBI Ontology
Outgoing Relation(s)
Modiolin (CHEBI:198982) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
ethyl (2Z,4E,9R)-9-hydroxydeca-2,4-dienoate
Manual XrefsDatabases
9064475ChemSpider