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CHEBI:61312 - 5-hydroxypseudobaptigenin

ChEBI IDCHEBI:61312
ChEBI Name5-hydroxypseudobaptigenin
Stars
DefinitionA member of the class of 7-hydroxyisoflavones that is pseudobaptigenin substituted by hydroxy group at position 5.
Last Modified12 March 2013
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H10O6
Net Charge0
Average Mass298.250
Monoisotopic Mass298.04774
SMILESO=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)cc(O)c12
InChIInChI=1S/C16H10O6/c17-9-4-11(18)15-14(5-9)20-6-10(16(15)19)8-1-2-12-13(3-8)22-7-21-12/h1-6,17-18H,7H2
InChIKeyBNFXYMBRFDJYCH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-hydroxypseudobaptigenin (CHEBI:61312) has functional parent pseudobaptigenin (CHEBI:8602)
5-hydroxypseudobaptigenin (CHEBI:61312) is a 7-hydroxyisoflavones (CHEBI:55465)
5-hydroxypseudobaptigenin (CHEBI:61312) is a benzodioxoles (CHEBI:38298)
5-hydroxypseudobaptigenin (CHEBI:61312) is conjugate acid of 5-hydroxypseudobaptigenin(1−) (CHEBI:61339)
Incoming Relation(s)
5-hydroxypseudobaptigenin(1−) (CHEBI:61339) is conjugate base of 5-hydroxypseudobaptigenin (CHEBI:61312)
IUPAC Name 
3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-4H-chromen-4-one
Synonyms  Source
3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-4H-1-benzopyran-4-oneChEBI
5,7-dihydroxy-3',4'-(methylenedioxy)isoflavoneChEBI
3-(benzo[d][1,3]dioxol-5-yl)-5,7-dihydroxy-4H-chromen-4-oneChEBI
Manual XrefsDatabases
CPD-12508MetaCyc
LMPK12050252LIPID MAPS
Registry NumbersSources
Reaxys:309023Reaxys