CHEBI:214906 - Mycenaflavin D

ChEBI IDCHEBI:214906
ChEBI NameMycenaflavin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24N6O4
Net Charge0
Average Mass484.516
Monoisotopic Mass484.18590
SMILESNc1cc2c3c(ccn2CCCO)c(-c2nc4c(=O)c(N)cc5c4c2ccn5CCCO)nc3c1=O
InChIInChI=1S/C26H24N6O4/c27-15-11-17-19-13(3-7-31(17)5-1-9-33)21(29-23(19)25(15)35)22-14-4-8-32(6-2-10-34)18-12-16(28)26(36)24(30-22)20(14)18/h3-4,7-8,11-12,33-34H,1-2,5-6,9-10,27-28H2
InChIKeyJSYPKXCMWSWUDB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mycena haematopus (ncbitaxon:230807) - PubMed (29637640)
ChEBI Ontology
Outgoing Relation(s)
Mycenaflavin D (CHEBI:214906) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
10-amino-3-[10-amino-7-(3-hydroxypropyl)-11-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8(12),9-pentaen-3-yl]-7-(3-hydroxypropyl)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8(12),9-pentaen-11-one