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CHEBI:211190 - Myrotheciumone A

ChEBI IDCHEBI:211190
ChEBI NameMyrotheciumone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O3
Net Charge0
Average Mass170.208
Monoisotopic Mass170.09429
SMILESC[C@H]1[C@H]2CC(=O)O[C@H]2C[C@@]1(C)O
InChIInChI=1S/C9H14O3/c1-5-6-3-8(10)12-7(6)4-9(5,2)11/h5-7,11H,3-4H2,1-2H3/t5-,6+,7-,9+/m0/s1
InChIKeyDZQCSLAJKGYOAF-VOQBNFLRSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - PubMed (24775302)
ChEBI Ontology
Outgoing Relation(s)
Myrotheciumone A (CHEBI:211190) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3aR,4S,5R,6aS)-5-hydroxy-4,5-dimethyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]uran-2-one
Manual XrefsDatabases
78437437ChemSpider