EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216403 - Streptoketide B

ChEBI IDCHEBI:216403
ChEBI NameStreptoketide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O6
Net Charge0
Average Mass380.396
Monoisotopic Mass380.12599
SMILESCCC(O)=Cc1cc2c3c(cc4cccc(=O)c4c3o1)C[C@@H](CC(=O)OC)O2
InChIInChI=1S/C22H20O6/c1-3-14(23)9-16-10-18-21-13(8-15(27-18)11-19(25)26-2)7-12-5-4-6-17(24)20(12)22(21)28-16/h4-7,9-10,15,23H,3,8,11H2,1-2H3/t15-/m0/s1
InChIKeyRKUGDRRWUUJGND-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (31746205)
ChEBI Ontology
Outgoing Relation(s)
Streptoketide B (CHEBI:216403) is a organic heterotricyclic compound (CHEBI:26979)
Streptoketide B (CHEBI:216403) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl 2-[(11S)-15-(2-hydroxybut-1-enyl)-3-oxo-12,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,8,13(17),14-hexaen-11-yl]acetate