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CHEBI:204451 - Armillariol B

ChEBI IDCHEBI:204451
ChEBI NameArmillariol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O5
Net Charge0
Average Mass206.238
Monoisotopic Mass206.11542
SMILESCC(C)CC(=O)OC[C@@H](O)[C@H](O)CO
InChIInChI=1S/C9H18O5/c1-6(2)3-9(13)14-5-8(12)7(11)4-10/h6-8,10-12H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyCGJMAAGDQABEAL-HTQZYQBOSA-N
Species of MetaboliteComponentSourceComments
Armillariaspecies (ncbitaxon:1906949) - DOI (10.1016/j.tetlet.2013.07.131)
ChEBI Ontology
Outgoing Relation(s)
Armillariol B (CHEBI:204451) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2R,3R)-2,3,4-trihydroxybutyl] 3-methylbutanoate
Manual XrefsDatabases
78437139ChemSpider