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CHEBI:67969 - ES-242-1

ChEBI IDCHEBI:67969
ChEBI NameES-242-1
Stars
DefinitionA natural product found in Conoideocrella tenuis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H36O10
Net Charge0
Average Mass604.652
Monoisotopic Mass604.23085
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)C[C@H](C)OC3
InChIInChI=1S/C34H36O10/c1-15-8-20-23(13-42-15)32(36)28-21(9-18(38-4)11-25(28)40-6)27(20)30-22-10-19(39-5)12-26(41-7)29(22)33(37)24-14-43-16(2)34(31(24)30)44-17(3)35/h9-12,15-16,34,36-37H,8,13-14H2,1-7H3/t15-,16-,34+/m0/s1
InChIKeyITZYZLTWHDMFBJ-GLVLYPABSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella tenuis (ncbitaxon:1105321) - PubMed (21473608) Ethyl acetate extract of culture broth Strain: BCC 18627
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)
ES-242-1 (CHEBI:67969) has role metabolite (CHEBI:25212)
ES-242-1 (CHEBI:67969) is a lignan (CHEBI:25036)
Manual XrefsDatabases
0136565667ChemIDplus
Citations