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CHEBI:225422 - Emefuranone A2

ChEBI IDCHEBI:225422
ChEBI NameEmefuranone A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILESCCCCC[C@@H](O)[C@H](O)C[C@@H]1OC(=O)c2c(O)ccc(CC=C(C)C)c21
InChIInChI=1S/C21H30O5/c1-4-5-6-7-15(22)17(24)12-18-19-14(9-8-13(2)3)10-11-16(23)20(19)21(25)26-18/h8,10-11,15,17-18,22-24H,4-7,9,12H2,1-3H3/t15-,17-,18+/m1/s1
InChIKeyZFTKJAWVCXVCCO-NXHRZFHOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26306816)
ChEBI Ontology
Outgoing Relation(s)
Emefuranone A2 (CHEBI:225422) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-3-[(2R,3R)-2,3-dihydroxyoctyl]-7-hydroxy-4-(3-methylbut-2-enyl)-3H-2-benzouran-1-one
Manual XrefsDatabases
78438762ChemSpider