EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213482 - Monacyclinone C

ChEBI IDCHEBI:213482
ChEBI NameMonacyclinone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29NO7
Net Charge0
Average Mass479.529
Monoisotopic Mass479.19440
SMILESC[C@@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2c(O)cc4c(c2C3=O)C(=O)C[C@](C)(O)C4)CC[C@@H]1N(C)C
InChIInChI=1S/C27H29NO7/c1-12-16(28(3)4)7-8-19(35-12)14-5-6-15-21(24(14)31)26(33)22-17(29)9-13-10-27(2,34)11-18(30)20(13)23(22)25(15)32/h5-6,9,12,16,19,29,31,34H,7-8,10-11H2,1-4H3/t12-,16-,19+,27+/m0/s1
InChIKeyVIDCXRXOWFCBBI-FSSRXIQXSA-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 C (CHEBI:213482) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R)-9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
40256516ChemSpider