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CHEBI:67959 - Conoideocrellide A

ChEBI IDCHEBI:67959
ChEBI NameConoideocrellide A
Stars
DefinitionA natural product found in Conoideocrella tenuis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H47N5O10
Net Charge0
Average Mass757.841
Monoisotopic Mass757.33229
SMILESCC(C)=CCOc1ccc(C[C@H]2NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)OC2=O)cc1
InChIInChI=1S/C40H47N5O10/c1-24(2)17-18-54-30-15-11-28(12-16-30)20-32-40(53)55-34(21-26-7-5-4-6-8-26)39(52)42-25(3)36(49)41-22-35(48)43-31(19-27-9-13-29(47)14-10-27)37(50)45-33(23-46)38(51)44-32/h4-17,25,31-34,46-47H,18-23H2,1-3H3,(H,41,49)(H,42,52)(H,43,48)(H,44,51)(H,45,50)/t25-,31+,32+,33+,34-/m0/s1
InChIKeyHRBIYRHJGCNAOT-JNVOQPTMSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella tenuis (ncbitaxon:1105321) mycelium (BTO:0001436) PubMed (21473608) Filtrate of mycelia macerated with methanol Strain: BCC 18627
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
Conoideocrellide A (CHEBI:67959) has role metabolite (CHEBI:25212)
Conoideocrellide A (CHEBI:67959) is a cyclodepsipeptide (CHEBI:35213)
Citations