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CHEBI:222674 - Myrotheciumone B

ChEBI IDCHEBI:222674
ChEBI NameMyrotheciumone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O3
Net Charge0
Average Mass156.181
Monoisotopic Mass156.07864
SMILESC[C@H]1[C@H]2C(=O)O[C@H]2C[C@@]1(C)O
InChIInChI=1S/C8H12O3/c1-4-6-5(11-7(6)9)3-8(4,2)10/h4-6,10H,3H2,1-2H3/t4-,5-,6+,8+/m0/s1
InChIKeySRAALVPFSJSJTL-LZCNBPATSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - PubMed (24775302)
ChEBI Ontology
Outgoing Relation(s)
Myrotheciumone B (CHEBI:222674) is a lactone (CHEBI:25000)
IUPAC Name 
(1R,2S,3R,5S)-3-hydroxy-2,3-dimethyl-6-oxabicyclo[3.2.0]heptan-7-one
Manual XrefsDatabases
78438248ChemSpider