EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67865 - Cochliomycin A, (rel)-

ChEBI IDCHEBI:67865
ChEBI NameCochliomycin A, (rel)-
Stars
DefinitionA natural product found in Cochliobolus lunatus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H28O7
Net Charge0
Average Mass404.459
Monoisotopic Mass404.18350
SMILES[H][C@@]12OC(C)(C)O[C@@]1([H])/C=C/C[C@H](C)OC(=O)c1c(O)cc(OC)cc1/C=C/C[C@@H]2O
InChIInChI=1S/C22H28O7/c1-13-7-5-10-18-20(29-22(2,3)28-18)16(23)9-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8,10-13,16,18,20,23-24H,7,9H2,1-4H3/b8-6+,10-5+/t13-,16-,18-,20-/m0/s1
InChIKeyJMSMAQNHTBWNAJ-PRPVSCSDSA-N
Species of MetaboliteComponentSourceComments
Cochliobolus lunatus (ncbitaxon:5503) - PubMed (21348465) EtOAc extract, fungus isolated from gorgonian coral Dichotella gemmacea
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cochliomycin A, (rel)- (CHEBI:67865) has role metabolite (CHEBI:25212)
Cochliomycin A, (rel)- (CHEBI:67865) is a macrolide (CHEBI:25106)
Synonym  Source
rel-(3aS,4E,7S,14E,17S,17aS)-10,17-Dihydroxy-12-methoxy-2,2,7-trimethyl-3a,6,7,16,17,17a-hexahydro-9H-[1,3]dioxolo[4,5-g][2]benzoxacyclotetradecin-9-oneChEBI
Citations