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CHEBI:221828 - Phyllostictine A

ChEBI IDCHEBI:221828
ChEBI NamePhyllostictine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27NO5
Net Charge0
Average Mass325.405
Monoisotopic Mass325.18892
SMILESC=C1C2=C(C(=O)N1OC)[C@H](O)[C@@](C)(O)[C@H](CCCCCCC)O2
InChIInChI=1S/C17H27NO5/c1-5-6-7-8-9-10-12-17(3,21)15(19)13-14(23-12)11(2)18(22-4)16(13)20/h12,15,19,21H,2,5-10H2,1,3-4H3/t12-,15-,17-/m0/s1
InChIKeyFLJXRCWDXADIBL-NUTKFTJISA-N
Species of MetaboliteComponentSourceComments
Phyllosticta cirsii (ncbitaxon:1986016) - DOI (10.1016/j.tet.2007.12.010)
ChEBI Ontology
Outgoing Relation(s)
Phyllostictine A (CHEBI:221828) is a pyrroline (CHEBI:23763)
IUPAC Name 
(2S,3R,4S)-2-heptyl-3,4-dihydroxy-6-methoxy-3-methyl-7-methylidene-2,4-dihydropyrano[2,3-c]pyrrol-5-one
Manual XrefsDatabases
59718193ChemSpider