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CHEBI:225394 - Emefuran B2

ChEBI IDCHEBI:225394
ChEBI NameEmefuran B2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESCCCCC[C@H](O)C(=O)C[C@H]1OCc2c(O)ccc(CC=C(C)C)c21
InChIInChI=1S/C21H30O4/c1-4-5-6-7-18(23)19(24)12-20-21-15(9-8-14(2)3)10-11-17(22)16(21)13-25-20/h8,10-11,18,20,22-23H,4-7,9,12-13H2,1-3H3/t18-,20+/m0/s1
InChIKeySQKPJSAFJDLBGU-AZUAARDMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26306816)
ChEBI Ontology
Outgoing Relation(s)
Emefuran B2 (CHEBI:225394) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3S)-3-hydroxy-1-[(1R)-4-hydroxy-7-(3-methylbut-2-enyl)-1,3-dihydro-2-benzouran-1-yl]octan-2-one
Manual XrefsDatabases
78438757ChemSpider