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CHEBI:6657 - Mallotophenone

ChEBI IDCHEBI:6657
ChEBI NameMallotophenone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H24O8
Net Charge0
Average Mass404.415
Monoisotopic Mass404.14712
SMILESCOc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c(C)c1OC
InChIInChI=1S/C21H24O8/c1-8-16(24)14(10(3)22)18(26)12(20(8)28-5)7-13-19(27)15(11(4)23)17(25)9(2)21(13)29-6/h24-27H,7H2,1-6H3
InChIKeyJXSPGOIAWPYMGS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Mallotophenone (CHEBI:6657) is a diarylmethane (CHEBI:51614)
Synonym  Source
MallotophenoneKEGG COMPOUND
Manual XrefsDatabases
C10708KEGG COMPOUND
C00002702KNApSAcK
Registry NumbersSources
CAS:98569-63-2KEGG COMPOUND