CHEBI:145069 - epoxybetaenone

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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 epoxybetaenone
ChEBI ID CHEBI:145069
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C21H34O3
Net Charge 0
Average Mass 334.500
Monoisotopic Mass 334.25079
InChI InChI=1S/C21H34O3/c1-7-13(3)18-20(5,16(23)8-9-22)17-14(4)10-12(2)11-15(17)19-21(18,6)24-19/h8-9,12-15,17-19,23H,7,10-11H2,1-6H3/b16-8-/t12-,13+,14+,15-,17-,18+,19+,20+,21-/m0/s1
InChIKey PXUDDXPBZDEGAF-QMJXDUBLSA-N
SMILES [C@]1([C@H]([C@]2([C@@H]([C@@]3([C@@]1([C@@H](C[C@@H](C3)C)C)[H])[H])O2)C)[C@@H](CC)C)(/C(/O)=C/C([H])=O)C
ChEBI Ontology
Outgoing epoxybetaenone (CHEBI:145069) is a organic molecular entity (CHEBI:50860)
Synonym Source
epoxybetaenone UniProt
Citation Waiting for Citations Type Source
31553484 PubMed citation SUBMITTER