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CHEBI:4748 - Echinone

ChEBI IDCHEBI:4748
ChEBI NameEchinone
Stars
Last Modified9 June 2016
DownloadsMolfile
FormulaC19H20O6
Net Charge0
Average Mass344.363
Monoisotopic Mass344.12599
SMILESCOc1c([C@H](CC=C(C)C)OC(C)=O)cc(O)c2c1C(=O)C=CC2=O
InChIInChI=1S/C19H20O6/c1-10(2)5-8-16(25-11(3)20)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24-4/h5-7,9,16,23H,8H2,1-4H3/t16-/m0/s1
InChIKeySCIUCADXFKAPEB-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
Echinone (CHEBI:4748) is a acetate ester (CHEBI:47622)
Echinone (CHEBI:4748) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
Synonym  Source
EchinoneKEGG COMPOUND
Manual XrefsDatabases
C10338KEGG COMPOUND
C00002820KNApSAcK
Registry NumbersSources
CAS:80348-65-8KEGG COMPOUND