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CHEBI:224533 - Monacyclinone H

ChEBI IDCHEBI:224533
ChEBI NameMonacyclinone H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H29NO5S
Net Charge0
Average Mass491.609
Monoisotopic Mass491.17664
SMILESCSc1cc2c(c3c(O)cc(C)cc13)C(=O)c1ccc([C@H]3CC[C@H](N(C)C)[C@H](C)O3)c(O)c1C2=O
InChIInChI=1S/C28H29NO5S/c1-13-10-17-22(35-5)12-18-24(23(17)20(30)11-13)27(32)16-7-6-15(26(31)25(16)28(18)33)21-9-8-19(29(3)4)14(2)34-21/h6-7,10-12,14,19,21,30-31H,8-9H2,1-5H3/t14-,19-,21+/m0/s1
InChIKeyGAURKSMOZWNCBH-ONTRVFCTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32840364)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Monacyclinone H (CHEBI:224533) is a angucycline (CHEBI:48130)
IUPAC Name 
9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-1,8-dihydroxy-3-methyl-5-methylsulanylbenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
93570500ChemSpider