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CHEBI:210584 - Modiolide B

ChEBI IDCHEBI:210584
ChEBI NameModiolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O3
Net Charge0
Average Mass182.219
Monoisotopic Mass182.09429
SMILESC[C@@H]1CC/C=C/[C@@H](O)/C=C\C(=O)O1
InChIInChI=1S/C10H14O3/c1-8-4-2-3-5-9(11)6-7-10(12)13-8/h3,5-9,11H,2,4H2,1H3/b5-3+,7-6-/t8-,9-/m1/s1
InChIKeyDNUDFISZTSNQPJ-ZWPSSFCZSA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeria (ncbitaxon:125369) - PubMed (12662103)
ChEBI Ontology
Outgoing Relation(s)
Modiolide B (CHEBI:210584) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2R,5E,7R,8Z)-7-hydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-one
Manual XrefsDatabases
9919963ChemSpider