EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:144150 - 3-Dechloro-4-O-methyldiploicin

Default Structure
ChEBI IDCHEBI:144150
ChEBI Name3-Dechloro-4-O-methyldiploicin
Stars
Submittermwilliams
DownloadsMolfile
FormulaC17H13Cl3O5
Net Charge0
Average Mass403.645
Monoisotopic Mass401.98286
SMILESCOc1cc2c(c(C)c1Cl)C(=O)Oc1c(Cl)c(OC)c(Cl)c(C)c1O2
InChIInChI=1S/C17H13Cl3O5/c1-6-10-8(5-9(22-3)11(6)18)24-14-7(2)12(19)15(23-4)13(20)16(14)25-17(10)21/h5H,1-4H3
InChIKeyHEZSUFJPGFDKIG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Dechloro-4-O-methyldiploicin (CHEBI:144150) is a carbonyl compound (CHEBI:36586)