CHEBI:174604 - Wyerone epoxide

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ChEBI Name Wyerone epoxide
ChEBI ID CHEBI:174604
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H14O5
Net Charge 0
Average Mass 274.272
Monoisotopic Mass 274.08412
InChI InChI=1S/C15H14O5/c1-3-12-14(20-12)8-6-11(16)13-7-4-10(19-13)5-9-15(17)18-2/h4-5,7,9,12,14H,3H2,1-2H3/b9-5+/t12-,14+/m0/s1
InChIKey FRIBCHAVILXSND-OKSBWBPSSA-N
SMILES O1[C@H]([C@H]1C#CC(=O)C=2OC(=CC2)/C=C/C(OC)=O)CC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Wyerone epoxide (CHEBI:174604) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
methyl (E)-3-[5-[3-[(2R,3S)-3-ethyloxiran-2-yl]prop-2-ynoyl]uran-2-yl]prop-2-enoate
Manual Xref Database
81368555 ChemSpider
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Registry Number Type Source
60375-16-8 CAS Registry Number ChemIDplus