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CHEBI:145053 - betaenone C

Default Structure
ChEBI IDCHEBI:145053
ChEBI Namebetaenone C
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H34O5
Net Charge0
Average Mass366.498
Monoisotopic Mass366.24062
SMILES[H][C@]12[C@H](C)C[C@@](C)(O)C[C@]1([H])C(=O)[C@@](C)(O)[C@H]([C@H](C)CC)[C@]2(C)C(=O)/C=C\O
InChIInChI=1S/C21H34O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h8-9,12-14,16-17,22,25-26H,7,10-11H2,1-6H3/b9-8-/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1
InChIKeyYRYPVWAJOMXOHH-ITBWMFDCSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
betaenone C (CHEBI:145053) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
betaenone CUniProt
Manual XrefsDatabases
10349243ChemSpider
23244602PubChem Compound
Betaenone_CWikipedia
Registry NumbersSources
CAS:85269-25-6SUBMITTER
Citations