CHEBI:67865 - Cochliomycin A, (rel)-

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ChEBI Name Cochliomycin A, (rel)-
ChEBI ID CHEBI:67865
Definition A natural product found in Cochliobolus lunatus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H28O7
Net Charge 0
Average Mass 404.45350
Monoisotopic Mass 404.18350
InChI InChI=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
InChIKey JMSMAQNHTBWNAJ-PRPVSCSDSA-N
SMILES [H][C@@]12OC(C)(C)O[C@@]1([H])[C@@H](O)C\C=C\c1cc(OC)cc(O)c1C(=O)O[C@@H](C)C\C=C\2
Metabolite of Species Details
Cochliobolus lunatus (NCBI:txid5503) EtOAc extract, fungus isolated from gorgonian coral Dichotella gemmacea See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-one ChEBI
Citation Waiting for Citations Type Source
21348465 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hydroxybenzoic acid(CHEBI:24676); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:dioxolane(CHEBI:39430); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);