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CHEBI:6632 - Maculosine

ChEBI IDCHEBI:6632
ChEBI NameMaculosine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H17NO6
Net Charge0
Average Mass331.324
Monoisotopic Mass331.10559
SMILES[H]C(O)(COc1c2cc3c(cc2nc2occc12)OCO3)C(C)(C)O
InChIInChI=1S/C17H17NO6/c1-17(2,20)14(19)7-22-15-9-3-4-21-16(9)18-11-6-13-12(5-10(11)15)23-8-24-13/h3-6,14,19-20H,7-8H2,1-2H3
InChIKeyWRQKGGQCQJIVGY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Maculosine (CHEBI:6632) is a organic heterotricyclic compound (CHEBI:26979)
Maculosine (CHEBI:6632) is a organonitrogen heterocyclic compound (CHEBI:38101)
Maculosine (CHEBI:6632) is a oxacycle (CHEBI:38104)
Synonym  Source
MaculosineKEGG COMPOUND
Manual XrefsDatabases
C10718KEGG COMPOUND
C00002185KNApSAcK