EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224547 - Monacyclinone K

ChEBI IDCHEBI:224547
ChEBI NameMonacyclinone K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO9
Net Charge0
Average Mass515.559
Monoisotopic Mass515.21553
SMILESC[C@@H]1O[C@@H](c2ccc3c(c2O)C(=O)[C@@]2(O)CC[C@@]4(O)C[C@]5(C)CC(=O)[C@@]4(O)[C@]2(O5)C3=O)CC[C@@H]1N(C)C
InChIInChI=1S/C27H33NO9/c1-13-16(28(3)4)7-8-17(36-13)14-5-6-15-19(20(14)30)22(32)25(34)10-9-24(33)12-23(2)11-18(29)26(24,35)27(25,37-23)21(15)31/h5-6,13,16-17,30,33-35H,7-12H2,1-4H3/t13-,16-,17+,23-,24+,25-,26-,27-/m0/s1
InChIKeyNBEAOWWLYZCVPB-FBCFQUMWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32840364)
ChEBI Ontology
Outgoing Relation(s)
Monacyclinone K (CHEBI:224547) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,10R,13R,15R,18S)-6-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-7,10,13,18-tetrahydroxy-15-methyl-19-oxapentacyclo[13.3.1.01,10.03,8.013,18]nonadeca-3(8),4,6-triene-2,9,17-trione
Manual XrefsDatabases
93570503ChemSpider