EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176286 - Artonin D

ChEBI IDCHEBI:176286
ChEBI NameArtonin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H36O10
Net Charge0
Average Mass676.718
Monoisotopic Mass676.23085
SMILESCC1=CC(c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)C(C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)C(c2ccc(O)cc2O)C1
InChIInChI=1S/C40H36O10/c1-20-16-28(24-8-7-23(42)19-33(24)46)35(39(49)27-10-13-34-26(37(27)47)14-15-40(2,3)50-34)29(17-20)36-31(44)12-9-25(38(36)48)30(43)11-5-21-4-6-22(41)18-32(21)45/h4-15,17-19,28-29,35,41-42,44-48H,16H2,1-3H3/b11-5+
InChIKeyJIQSDJNLGMFGDV-VZUCSPMQSA-N
ChEBI Ontology
Outgoing Relation(s)
Artonin D (CHEBI:176286) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-3-(2,4-dihydroxyphenyl)-1-[3-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]prop-2-en-1-one
Manual XrefsDatabases
HMDB0035961HMDB
35014056ChemSpider