CHEBI:6657 - Mallotophenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mallotophenone
ChEBI ID CHEBI:6657
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H24O8
Net Charge 0
Average Mass 404.411
Monoisotopic Mass 404.147
InChI InChI=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
InChIKey JXSPGOIAWPYMGS-UHFFFAOYSA-N
SMILES COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c(C)c1OC
ChEBI Ontology
Outgoing Mallotophenone (CHEBI:6657) is a diarylmethane (CHEBI:51614)
Synonym Source
Mallotophenone KEGG COMPOUND
Manual Xrefs Databases
C00002702 KNApSAcK
C10708 KEGG COMPOUND
View more database links
Registry Number Type Source
98569-63-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014