EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204538 - Phyllostictine B

ChEBI IDCHEBI:204538
ChEBI NamePhyllostictine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23NO5
Net Charge0
Average Mass297.351
Monoisotopic Mass297.15762
SMILESC=C1C2=C(C(=O)N1OC)[C@H](O)[C@@](C)(O)[C@H](CCCCC)O2
InChIInChI=1S/C15H23NO5/c1-5-6-7-8-10-15(3,19)13(17)11-12(21-10)9(2)16(20-4)14(11)18/h10,13,17,19H,2,5-8H2,1,3-4H3/t10-,13-,15-/m0/s1
InChIKeyPQXBZFLVJGBOAD-XEGUGMAKSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta cirsii (ncbitaxon:1986016) - DOI (10.1016/j.tet.2007.12.010)
ChEBI Ontology
Outgoing Relation(s)
Phyllostictine B (CHEBI:204538) is a pyrroline (CHEBI:23763)
IUPAC Name 
(2S,3R,4S)-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one
Manual XrefsDatabases
35000193ChemSpider