EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:6937 - Millettone

Default Structure
ChEBI IDCHEBI:6937
ChEBI NameMillettone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H18O6
Net Charge0
Average Mass378.380
Monoisotopic Mass378.11034
SMILES[H][C@@]12COc3cc4c(cc3[C@]1([H])C(=O)c1ccc3c(c1O2)C=CC(C)(C)O3)OCO4
InChIInChI=1S/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3/t18-,19+/m1/s1
InChIKeyTXNSUHKZCOMFPN-MOPGFXCFSA-N
ChEBI Ontology
Outgoing Relation(s)
Millettone (CHEBI:6937) is a isoflavanones (CHEBI:38741)
Synonym  Source
MillettoneKEGG COMPOUND
Manual XrefsDatabases
C00002550KNApSAcK
C10506KEGG COMPOUND
Registry NumbersSources
CAS:50376-38-0KEGG COMPOUND