EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208712 - Penibruguieramine A

ChEBI IDCHEBI:208712
ChEBI NamePenibruguieramine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H27NO3
Net Charge0
Average Mass281.396
Monoisotopic Mass281.19909
SMILESCC=CCCCC[C@@]1(O)[C@H](C)C(=O)N2CCC[C@@]21CO
InChIInChI=1S/C16H27NO3/c1-3-4-5-6-7-10-16(20)13(2)14(19)17-11-8-9-15(16,17)12-18/h3-4,13,18,20H,5-12H2,1-2H3/t13-,15+,16-/m1/s1
InChIKeyXEJNHBMJNYJKBH-VNQPRFMTSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies GD6 (ncbitaxon:1429582) - PubMed (24533828)
ChEBI Ontology
Outgoing Relation(s)
Penibruguieramine A (CHEBI:208712) is a cyclic ketone (CHEBI:3992)
Penibruguieramine A (CHEBI:208712) is a organic heterobicyclic compound (CHEBI:27171)
Penibruguieramine A (CHEBI:208712) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1R,2S,8S)-1-hept-5-enyl-1-hydroxy-8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydropyrrolizin-3-one