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CHEBI:223454 - CJ-13,102

ChEBI IDCHEBI:223454
ChEBI NameCJ-13,102
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O7
Net Charge0
Average Mass462.583
Monoisotopic Mass462.26175
SMILESCOc1cc(OC)c2c(c1)C(CCCCCCCCCC(CCC(C)=O)OC(C)=O)OC2=O
InChIInChI=1S/C26H38O7/c1-18(27)14-15-20(32-19(2)28)12-10-8-6-5-7-9-11-13-23-22-16-21(30-3)17-24(31-4)25(22)26(29)33-23/h16-17,20,23H,5-15H2,1-4H3
InChIKeyXAJJUQNPIDXCRZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phanerochaete velutina (ncbitaxon:194680) - PubMed (9402988)
ChEBI Ontology
Outgoing Relation(s)
CJ-13,102 (CHEBI:223454) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[14-(4,6-dimethoxy-3-oxo-1H-2-benzouran-1-yl)-2-oxotetradecan-5-yl] acetate
Manual XrefsDatabases
8087853ChemSpider