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CHEBI:203988 - Monacyclinone A

Default Structure
ChEBI IDCHEBI:203988
ChEBI NameMonacyclinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H27NO5
Net Charge0
Average Mass445.515
Monoisotopic Mass445.18892
SMILESCc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc([C@H]2CC[C@H](N(C)C)[C@H](C)O2)c1O)C3=O
InChIInChI=1S/C27H27NO5/c1-13-11-15-5-6-17-23(22(15)20(29)12-13)26(31)18-8-7-16(25(30)24(18)27(17)32)21-10-9-19(28(3)4)14(2)33-21/h5-8,11-12,14,19,21,29-30H,9-10H2,1-4H3/t14-,19-,21+/m0/s1
InChIKeyWEGMUYMBGYFHLV-ONTRVFCTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26230704)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Monacyclinone A (CHEBI:203988) is a angucycline (CHEBI:48130)
IUPAC Name 
9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-1,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
40256514ChemSpider