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CHEBI:145054 - betaenone B

Default Structure
ChEBI IDCHEBI:145054
ChEBI Namebetaenone B
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H36O5
Net Charge0
Average Mass368.514
Monoisotopic Mass368.25627
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)CCO
InChIInChI=1S/C21H36O5/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/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1
InChIKeyPUZNAAVWFXQUDM-HBKHSIGZSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
betaenone B (CHEBI:145054) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
betaenone BUniProt
Manual XrefsDatabases
139645ChemSpider
158750PubChem Compound
Betaenone_BWikipedia
Registry NumbersSources
CAS:85269-23-4SUBMITTER
Citations