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CHEBI:225432 - Emericelloxide

ChEBI IDCHEBI:225432
ChEBI NameEmericelloxide
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SubmitterMetaboLights
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FormulaC21H26O3
Net Charge0
Average Mass326.436
Monoisotopic Mass326.18819
SMILESCCCCCC(=O)C12C=Cc3c(CC=C(C)C)ccc(O)c3C1O2
InChIInChI=1S/C21H26O3/c1-4-5-6-7-18(23)21-13-12-16-15(9-8-14(2)3)10-11-17(22)19(16)20(21)24-21/h8,10-13,20,22H,4-7,9H2,1-3H3
InChIKeyUCRMMVOOLKOJII-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26306816)
ChEBI Ontology
Outgoing Relation(s)
Emericelloxide (CHEBI:225432) is a naphthalenes (CHEBI:25477)
IUPAC Name 
1-[7-hydroxy-4-(3-methylbut-2-enyl)-7bH-naphtho[1,2-b]oxiren-1a-yl]hexan-1-one
Manual XrefsDatabases
78435167ChemSpider