CHEBI:145054 - betaenone B

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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 betaenone B
ChEBI ID CHEBI:145054
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C21H36O5
Net Charge 0
Average Mass 368.514
Monoisotopic Mass 368.25627
InChI InChI=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
InChIKey PUZNAAVWFXQUDM-HBKHSIGZSA-N
SMILES [C@]1([C@H]([C@](C([C@@]2([C@@]1([C@@H](C[C@](C2)(O)C)C)[H])[H])=O)(C)O)[C@@H](CC)C)(C(=O)CCO)C
ChEBI Ontology
Outgoing betaenone B (CHEBI:145054) is a organic molecular entity (CHEBI:50860)
Synonym Source
betaenone B UniProt
Manual Xrefs Databases
139645 ChemSpider
158750 Pubchem accession
Betaenone_B Wikipedia accession
View more database links
Registry Number Type Source
85269-23-4 CAS Registry Number SUBMITTER
Citation Waiting for Citations Type Source
25530455 PubMed citation SUBMITTER