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CHEBI:205017 - Mycenarubin B

ChEBI IDCHEBI:205017
ChEBI NameMycenarubin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N6O7
Net Charge0
Average Mass560.567
Monoisotopic Mass560.20195
SMILESNCCCN1C2=CC(=NCCCN3C4=CC(=O)C(=O)c5ncc(c54)C[C@H]3C(=O)O)C(=O)c3ncc(c32)C[C@H]1C(=O)O
InChIInChI=1S/C28H28N6O7/c29-3-1-5-33-16-9-15(25(36)23-21(16)13(11-31-23)7-18(33)27(38)39)30-4-2-6-34-17-10-20(35)26(37)24-22(17)14(12-32-24)8-19(34)28(40)41/h9-12,18-19,31-32H,1-8,29H2,(H,38,39)(H,40,41)/t18-,19-/m0/s1
InChIKeyGMWPIKRWDSPXHC-OALUTQOASA-N
Species of MetaboliteComponentSourceComments
Mycena rosea (ncbitaxon:220802) - DOI (10.1002/ejoc.200600826)
ChEBI Ontology
Outgoing Relation(s)
Mycenarubin B (CHEBI:205017) is a quinolines (CHEBI:26513)
IUPAC Name 
(6S)-7-(3-aminopropyl)-10-[3-[(6S)-6-carboxy-10,11-dioxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-trien-7-yl]propylimino]-11-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-6-carboxylic acid
Manual XrefsDatabases
78437229ChemSpider