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CHEBI:55551 - dalnigrein

ChEBI IDCHEBI:55551
ChEBI Namedalnigrein
Stars
DefinitionA member of the class of 7-hydroxyisoflavones that is isoflavone having four methoxy substituents at the 2'-, 4'-, 5'- and 6-positions and a hydroxy group at position 7.
Last Modified17 November 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H18O7
Net Charge0
Average Mass358.346
Monoisotopic Mass358.10525
SMILESCOc1cc2c(=O)c(-c3cc(OC)c(OC)cc3OC)coc2cc1O
InChIInChI=1S/C19H18O7/c1-22-14-8-18(25-4)17(24-3)5-10(14)12-9-26-15-7-13(20)16(23-2)6-11(15)19(12)21/h5-9,20H,1-4H3
InChIKeyHCBHUSZRPOFQMN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
dalnigrein (CHEBI:55551) is a 4'-methoxyisoflavones (CHEBI:133959)
dalnigrein (CHEBI:55551) is a 7-hydroxyisoflavones (CHEBI:55465)
dalnigrein (CHEBI:55551) is conjugate acid of dalnigrein(1−) (CHEBI:83859)
Incoming Relation(s)
dalnigrein(1−) (CHEBI:83859) is conjugate base of dalnigrein (CHEBI:55551)
IUPAC Name 
7-hydroxy-6-methoxy-3-(2,4,5-trimethoxyphenyl)-4H-chromen-4-one
Manual XrefsDatabases
CPD-9716MetaCyc
Registry NumbersSources
Reaxys:1269769Reaxys