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CHEBI:28780 - atherospermidine

ChEBI IDCHEBI:28780
ChEBI Nameatherospermidine
Stars
Secondary ChEBI IDsCHEBI:2907, CHEBI:22670
Last Modified12 August 2016
DownloadsMolfile
FormulaC18H11NO4
Net Charge0
Average Mass305.289
Monoisotopic Mass305.06881
SMILESCOc1c2c(c3c4c(nccc14)C(=O)c1ccccc1-3)OCO2
InChIInChI=1S/C18H11NO4/c1-21-16-11-6-7-19-14-12(11)13(17-18(16)23-8-22-17)9-4-2-3-5-10(9)15(14)20/h2-7H,8H2,1H3
InChIKeyMDFFNDBAEOHIDY-UHFFFAOYSA-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)
atherospermidine (CHEBI:28780) is a oxoaporphine alkaloid (CHEBI:132998)
IUPAC Name 
4-methoxy-8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one
Synonyms  Source
AtherospermidineKEGG COMPOUND
4-methoxy-8H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-oneChemIDplus
4,5,6,6a-tetradehydro-3-methoxy-1,2-(methylenedioxy)-noraporphin-7-oneChemIDplus
Manual XrefsDatabases
C09347KEGG COMPOUND
C00001813KNApSAcK
Registry NumbersSources
Beilstein:318697Beilstein
CAS:3912-57-0KEGG COMPOUND
CAS:3912-57-0ChemIDplus