CHEBI:225432 - Emericelloxide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Emericelloxide
ChEBI ID CHEBI:225432
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H26O3
Net Charge 0
Average Mass 326.436
Monoisotopic Mass 326.18819
InChI InChI=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
InChIKey UCRMMVOOLKOJII-UHFFFAOYSA-N
SMILES O=C(C12OC1C=3C(O)=CC=C(C3C=C2)CC=C(C)C)CCCCC
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78435167 ChemSpider
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