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CHEBI:31958 - pancracine

ChEBI IDCHEBI:31958
ChEBI Namepancracine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H17NO4
Net Charge0
Average Mass287.315
Monoisotopic Mass287.11576
SMILES[H][C@]12C[C@H](O)[C@@H](O)C=C1[C@H]1C[N@]2Cc2cc3c(cc21)OCO3
InChIInChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12-,13-,14-/m0/s1
InChIKeyJKZMYBLUKAMPKM-XUXIUFHCSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pancracine (CHEBI:31958) is a isoquinoline alkaloid (CHEBI:24921)
pancracine (CHEBI:31958) is a isoquinoline alkaloid fundamental parent (CHEBI:38515)
IUPAC Name 
pancracine
Synonym  Source
PancracineKEGG COMPOUND
Manual XrefsDatabases
C12186KEGG COMPOUND
C00028793KNApSAcK
Registry NumbersSources
Beilstein:1086590Beilstein