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CHEBI:145062 - probetaenone I

Default Structure
ChEBI IDCHEBI:145062
ChEBI Nameprobetaenone I
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H36O2
Net Charge0
Average Mass320.517
Monoisotopic Mass320.27153
SMILES[H][C@]12[C@H](C)C[C@H](C)C[C@]1([H])C=C(C)[C@H]([C@H](C)CC)[C@]2(C)C(=O)CCO
InChIInChI=1S/C21H36O2/c1-7-14(3)19-16(5)12-17-11-13(2)10-15(4)20(17)21(19,6)18(23)8-9-22/h12-15,17,19-20,22H,7-11H2,1-6H3/t13-,14+,15+,17+,19-,20-,21-/m0/s1
InChIKeyCWVNYXDUEQFYMM-YDGZXZOGSA-N
ChEBI Ontology
Outgoing Relation(s)
probetaenone I (CHEBI:145062) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
probetaenone IUniProt
Citations