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CHEBI:212582 - Virgaricin B

ChEBI IDCHEBI:212582
ChEBI NameVirgaricin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23NO5
Net Charge0
Average Mass321.373
Monoisotopic Mass321.15762
SMILESCC=CCCC=CC=CC=CC(=O)[C@]1(O)C(=O)N[C@@H](CO)[C@@H]1O
InChIInChI=1S/C17H23NO5/c1-2-3-4-5-6-7-8-9-10-11-14(20)17(23)15(21)13(12-19)18-16(17)22/h2-3,6-11,13,15,19,21,23H,4-5,12H2,1H3,(H,18,22)/t13-,15-,17+/m0/s1
InChIKeyCYJHCBKMADLSOZ-JLJPHGGASA-N
Species of MetaboliteComponentSourceComments
Virgaria (ncbitaxon:1085561) - PubMed (25899122)
ChEBI Ontology
Outgoing Relation(s)
Virgaricin B (CHEBI:212582) is a enone (CHEBI:51689)
Virgaricin B (CHEBI:212582) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
(3S,4S,5S)-3-dodeca-2,4,6,10-tetraenoyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-one