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CHEBI:224538 - Monacyclinone I

ChEBI IDCHEBI:224538
ChEBI NameMonacyclinone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H27NO5S
Net Charge0
Average Mass477.582
Monoisotopic Mass477.16099
SMILESCN[C@H]1CC[C@H](c2ccc3c(c2O)C(=O)c2cc(SC)c4cc(C)cc(O)c4c2C3=O)O[C@H]1C
InChIInChI=1S/C27H27NO5S/c1-12-9-16-21(34-4)11-17-23(22(16)19(29)10-12)26(31)15-6-5-14(25(30)24(15)27(17)32)20-8-7-18(28-3)13(2)33-20/h5-6,9-11,13,18,20,28-30H,7-8H2,1-4H3/t13-,18-,20+/m0/s1
InChIKeyRTRDQXYMHKTTCI-YHJVDBJQSA-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 I (CHEBI:224538) is a angucycline (CHEBI:48130)
IUPAC Name 
1,8-dihydroxy-3-methyl-9-[(2R,5S,6S)-6-methyl-5-(methylamino)oxan-2-yl]-5-methylsulanylbenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
93570501ChemSpider