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CHEBI:1749 - 4,5-methylenedioxy-6-hydroxyaurone

ChEBI IDCHEBI:1749
ChEBI Name4,5-methylenedioxy-6-hydroxyaurone
Stars
DefinitionA hydroxyaurone that is aurone substituted by a hydroxy group at position 6 and a methylenedioxy group across positions 4 and 5 respectively.
Last Modified9 June 2015
DownloadsMolfile
FormulaC16H10O5
Net Charge0
Average Mass282.251
Monoisotopic Mass282.05282
SMILESO=C1/C(=C/c2ccccc2)Oc2cc(O)c3c(c21)OCO3
InChIInChI=1S/C16H10O5/c17-10-7-11-13(16-15(10)19-8-20-16)14(18)12(21-11)6-9-4-2-1-3-5-9/h1-7,17H,8H2/b12-6-
InChIKeyKLYHONUCJQKOKE-SDQBBNPISA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
4,5-methylenedioxy-6-hydroxyaurone (CHEBI:1749) has functional parent aurone (CHEBI:47964)
4,5-methylenedioxy-6-hydroxyaurone (CHEBI:1749) has role plant metabolite (CHEBI:76924)
4,5-methylenedioxy-6-hydroxyaurone (CHEBI:1749) is a hydroxyaurone (CHEBI:85970)
IUPAC Name 
(7Z)-7-benzylidene-4-hydroxy-2H-furo[3,2-e][1,3]benzodioxol-8(7H)-one
Synonym  Source
cephaloceroneChEBI
Manual XrefsDatabases
C08722KEGG COMPOUND
C00002385KNApSAcK
LMPK12130053LIPID MAPS
Registry NumbersSources
Reaxys:4756987Reaxys
CAS:135383-79-8KEGG COMPOUND