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CHEBI:224542 - Monacyclinone J

ChEBI IDCHEBI:224542
ChEBI NameMonacyclinone J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31NO6S
Net Charge0
Average Mass509.624
Monoisotopic Mass509.18721
SMILESCSc1cc2c(c3c1C[C@@](C)(O)CC3=O)C(=O)c1ccc([C@H]3CC[C@H](N(C)C)[C@H](C)O3)c(O)c1C2=O
InChIInChI=1S/C28H31NO6S/c1-13-18(29(3)4)8-9-20(35-13)14-6-7-15-24(25(14)31)27(33)16-10-21(36-5)17-11-28(2,34)12-19(30)22(17)23(16)26(15)32/h6-7,10,13,18,20,31,34H,8-9,11-12H2,1-5H3/t13-,18-,20+,28+/m0/s1
InChIKeyZBALKLFZSLAGHI-KUXCXQJKSA-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 J (CHEBI:224542) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R)-9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-5-methylsulanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
93570502ChemSpider